data_4ch1_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 4ch1 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.627 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 2.2 p . . . . . 0 N--CA 1.449 -0.504 0 CA-C-O 120.66 0.266 . . . . 1.26 111.711 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.7 ttt -51.16 -54.33 26.35 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.137 0.792 . . . . 1.46 113.137 -171.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.53 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 62.5 m-85 -106.72 2.2 25.58 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 121.914 -0.491 . . . . 1.01 111.941 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.3 p -106.61 -22.07 12.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.807 0.669 . . . . 1.06 112.807 -175.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.627 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 40.0 tttp -85.75 113.17 21.72 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.758 0.313 . . . . 1.86 110.381 -177.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 89' ' ' ALA . 65.5 mt -103.13 134.29 44.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.186 -0.461 . . . . 1.09 111.163 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -100.78 128.66 46.74 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.589 -0.522 . . . . 0.36 109.589 173.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 t -110.66 130.42 64.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.866 -0.42 . . . . 1.06 109.866 178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.02 160.78 21.31 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.939 -0.573 . . . . 0.24 112.051 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.39 28.21 64.21 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.814 -0.708 . . . . 0.25 112.776 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.2 mt -85.67 130.33 51.37 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.762 0.315 . . . . 0.96 110.955 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 16.3 Cg_endo -60.41 142.9 99.21 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.877 1.718 . . . . 0.33 110.165 172.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -62.13 -20.67 64.32 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.716 0.265 . . . . 1.01 111.716 -172.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.436 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 19.1 p80 -81.0 -13.29 59.0 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.122 0.786 . . . . 3.21 113.122 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.446 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 48.2 m -56.07 139.76 45.88 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.526 0.603 . . . . 1.13 111.189 175.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.7 p -111.9 163.17 14.52 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.086 0.469 . . . . 0.59 110.705 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.65 -36.74 62.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.556 -0.747 . . . . 0.55 110.696 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.654 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 26.6 ttpp -68.68 -35.36 77.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 2.74 110.281 -178.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.4 m -62.32 -39.86 94.42 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.704 0.287 . . . . 1.16 110.544 177.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.4 mt -70.42 -42.49 71.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.647 -0.501 . . . . 1.09 109.647 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -55.93 -55.52 31.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.255 -0.884 . . . . 0.93 111.548 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.654 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 25.0 mm-40 -60.02 -45.37 93.02 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.443 0.534 . . . . 2.68 112.443 -176.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -70.16 -51.61 29.88 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.891 -0.324 . . . . 1.38 111.375 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -71.18 -27.93 63.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.483 0.92 . . . . 0.34 113.483 -176.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -68.77 -13.92 62.7 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.766 -0.774 . . . . 1.93 110.727 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -67.03 -11.06 55.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 2.59 111.84 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -92.16 -15.58 27.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.6 0.238 . . . . 0.36 110.943 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.42 -110.82 0.43 Allowed Glycine 0 C--N 1.329 0.166 0 C-N-CA 120.601 -0.809 . . . . 1.36 112.515 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -130.83 139.95 50.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.923 0.392 . . . . 0.69 110.924 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.44 HG12 ' SD ' ' A' ' 83' ' ' MET . 39.9 mt -110.35 140.94 27.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.114 0.483 . . . . 1.06 111.73 177.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -79.24 -51.63 9.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.234 -0.893 . . . . 1.59 109.579 172.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -155.3 136.21 13.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.738 -1.119 . . . . 2.3 109.888 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.13 114.51 11.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.773 -0.455 . . . . 1.04 109.773 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.4 m -138.55 151.62 24.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.935 -0.575 . . . . 1.16 111.992 -174.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 50.0 t -96.06 134.3 34.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.543 -1.28 . . . . 1.08 107.543 170.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.775 HG12 ' HA2' ' A' ' 79' ' ' GLY . 43.7 mm -85.12 128.66 38.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.494 0.664 . . . . 1.07 111.274 -168.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.626 HG23 ' HA ' ' A' ' 75' ' ' SER . 73.9 p -121.93 149.3 43.62 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 115.013 -0.994 . . . . 1.06 108.709 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.67 126.61 28.11 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.738 -0.467 . . . . 0.64 109.738 173.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.559 ' C ' ' HD3' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -62.75 -16.57 58.3 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.77 0.655 . . . . 6.12 112.77 -172.618 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -87.59 -54.23 4.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.985 0.422 . . . . 2.3 110.833 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.1 p -92.51 -15.39 27.1 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.243 0.46 . . . . 1.36 112.243 -175.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 62.99 30.95 16.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.418 -0.81 . . . . 2.05 110.529 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -103.99 140.5 37.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.616 -0.72 . . . . 2.65 109.84 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.626 ' HA ' HG23 ' A' ' 68' ' ' THR . 14.6 m -59.02 131.5 51.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 1.28 111.925 -173.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -93.45 10.53 31.96 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.0 -0.545 . . . . 2.76 110.671 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.43 16.26 78.91 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.526 -0.761 . . . . 0.31 114.869 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -149.11 165.21 32.44 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.909 -0.775 . . . . 1.11 108.909 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.775 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -152.0 179.51 28.51 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 119.754 -1.212 . . . . 0.17 112.962 -174.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.45 ' HD1' ' CG1' ' A' ' 67' ' ' ILE . 53.5 m-85 -134.11 139.77 46.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.847 0.832 . . . . 0.43 111.607 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.6 t -125.55 130.41 72.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 114.361 -1.291 . . . . 1.06 109.24 170.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 m -108.2 110.64 22.32 Favored 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.795 -1.187 . . . . 1.07 107.795 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.502 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 91.3 mmm -83.92 149.28 26.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.089 0.471 . . . . 1.06 110.443 -175.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -76.56 -19.75 57.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.217 -0.902 . . . . 2.07 110.137 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.52 146.62 38.37 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.535 -0.757 . . . . 1.02 110.577 -178.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.53 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 59.7 ttt180 -66.49 -43.81 84.37 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.328 0.492 . . . . 3.61 112.328 -177.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.664 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -60.42 -40.18 90.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.003 0.43 . . . . 1.1 110.32 -176.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.5 m -62.29 -44.38 96.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.487 -0.779 . . . . 1.04 109.73 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.53 ' HA ' HD12 ' A' ' 37' ' ' ILE . . . -63.42 -44.92 93.22 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.654 -0.703 . . . . 0.96 110.884 178.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -69.88 -37.55 76.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.668 -0.696 . . . . 2.08 111.659 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.664 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 28.5 mmm180 -61.01 -39.23 88.94 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.478 -0.564 . . . . 3.84 109.478 175.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.74 74.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.857 -0.61 . . . . 1.03 111.26 175.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 60.8 m -80.8 -16.12 54.61 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.654 0.242 . . . . 0.34 111.654 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -32.34 70.42 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 110.155 -0.313 . . . . 3.42 110.155 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -101.33 89.5 1.4 Allowed Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.868 -0.79 . . . . 1.12 108.868 171.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.502 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 56.4 Cg_endo -69.62 -15.4 37.59 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.434 2.089 . . . . 0.57 113.904 -170.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.751 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 14.9 m120 -131.04 63.74 71.37 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 112.492 0.553 . . . . 0.7 112.492 -173.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -75.28 148.78 34.66 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.481 2.121 . . . . 0.81 112.489 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.3 mm -80.21 111.81 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.852 0.358 . . . . 1.15 110.255 175.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.9 mt -120.8 115.15 46.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.26 -0.427 . . . . 1.16 110.279 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.76 44.34 26.34 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.707 -0.679 . . . . 1.33 111.383 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.45 6.02 89.51 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 115.395 -0.82 . . . . 0.59 114.732 174.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.542 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 63.4 ttt180 -134.41 141.76 46.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.751 0.776 . . . . 2.41 110.494 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.543 ' HD3' ' HB3' ' A' ' 97' ' ' ASN . 23.8 ttmm -76.4 127.38 32.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.226 -0.443 . . . . 2.43 110.061 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.751 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.59 161.34 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.76 -0.654 . . . . 1.04 110.987 -176.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.502 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 2.0 p-10 -116.73 117.78 30.72 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.183 -0.673 . . . . 1.53 109.183 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 59.0 t -117.62 137.3 51.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.736 -0.665 . . . . 1.14 112.109 -172.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -156.28 155.94 33.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.969 -0.559 . . . . 0.68 110.053 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.3 mt -55.51 128.25 33.58 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.786 -0.449 . . . . 1.08 109.786 172.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.75 -34.19 77.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.023 0.749 . . . . 1.02 113.023 -168.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -63.51 -20.27 65.47 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.849 0.357 . . . . 1.01 111.237 -174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.422 ' HA ' HD21 ' A' ' 112' ' ' LEU . 59.8 mt -70.7 -7.98 48.67 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.606 0.595 . . . . 1.15 112.606 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -148.98 12.94 1.11 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.699 -0.762 . . . . 0.41 111.685 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 120.682 0.277 . . . . 1.18 110.834 -177.635 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.591 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 4.4 p . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 112.815 0.672 . . . . 1.26 112.815 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 52.7 mtp -53.16 -53.7 46.68 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.858 0.688 . . . . 1.46 112.858 -178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.524 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 47.8 m-85 -106.29 -5.26 19.27 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 118.229 0.468 . . . . 1.01 111.905 -177.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.486 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 10.9 p -99.87 -23.38 14.97 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.552 -0.295 . . . . 1.06 111.766 -174.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.591 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 86.0 tttt -95.23 113.76 25.48 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.401 0.62 . . . . 1.86 110.288 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.402 HG12 HD21 ' A' ' 109' ' ' LEU . 73.8 mt -103.36 132.86 48.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.13 -0.941 . . . . 1.09 110.534 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -97.89 123.6 41.94 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.116 -0.698 . . . . 0.36 109.116 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.546 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.3 t -107.29 128.49 62.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.33 -0.619 . . . . 1.06 109.33 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.47 153.93 18.89 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.051 -0.595 . . . . 0.24 112.628 -172.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.9 16.27 77.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.829 -0.701 . . . . 0.25 112.617 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.2 mt -74.88 133.77 75.72 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 120.658 0.266 . . . . 0.96 111.094 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 19.1 Cg_endo -60.67 146.02 97.89 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.378 2.052 . . . . 0.33 110.94 173.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -64.59 -15.19 60.69 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.804 0.335 . . . . 1.01 111.322 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -77.28 -22.0 52.74 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.366 -0.379 . . . . 3.21 111.548 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.9 m -55.64 136.12 50.7 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 111.733 0.272 . . . . 1.13 111.733 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.6 p -110.77 163.44 13.76 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.031 0.443 . . . . 0.59 110.197 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -53.79 -32.65 53.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.762 -0.654 . . . . 0.55 110.324 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.611 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 38.8 ttmt -68.71 -38.2 80.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.728 -0.669 . . . . 2.74 110.774 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.8 m -62.12 -36.94 83.26 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.024 0.44 . . . . 1.16 110.415 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.3 mt -70.77 -41.09 72.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.108 -0.497 . . . . 1.09 110.199 176.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -55.62 -55.27 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.66 -0.7 . . . . 0.93 111.213 176.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 14.4 mm-40 -59.53 -44.6 93.16 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.06 0.393 . . . . 2.68 112.06 -175.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -70.77 -52.84 18.16 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.575 -0.45 . . . . 1.38 111.459 -172.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.413 ' HB2' HD12 ' A' ' 61' ' ' ILE . 77.2 m-85 -71.72 -28.32 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.638 0.977 . . . . 0.34 113.638 -176.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -66.34 -16.21 63.87 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.257 -0.577 . . . . 1.93 110.562 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -67.58 -18.65 65.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 2.59 111.292 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 77.3 m-85 -91.71 -22.58 20.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.986 0.422 . . . . 0.36 110.517 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.522 ' HA3' ' HB3' ' A' ' 88' ' ' SER . . . 165.9 -176.19 41.36 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.441 -0.663 . . . . 1.36 111.441 -178.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.83 136.9 47.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.091 0.472 . . . . 0.69 110.88 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.413 HD12 ' HB2' ' A' ' 55' ' ' PHE . 40.5 mt -105.64 134.78 46.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.689 -0.687 . . . . 1.06 110.918 178.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.436 ' HG2' ' HE2' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -80.06 -44.73 19.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.107 -0.951 . . . . 1.59 109.537 175.685 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -158.9 136.49 10.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.364 -0.835 . . . . 2.3 110.156 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.08 115.38 12.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.883 -0.414 . . . . 1.04 109.883 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.4 m -138.06 151.84 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.857 0.36 . . . . 1.16 111.648 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.06 134.82 32.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.435 -0.95 . . . . 1.08 108.435 171.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.487 HG12 ' HA2' ' A' ' 79' ' ' GLY . 14.1 mm -83.55 128.53 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.71 0.767 . . . . 1.07 111.869 -169.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.464 HG23 ' HA ' ' A' ' 75' ' ' SER . 46.4 p -124.27 146.42 48.78 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.289 -1.323 . . . . 1.06 109.318 -178.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -57.3 135.56 56.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.602 0.239 . . . . 0.64 110.624 173.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -24.52 67.43 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.076 0.769 . . . . 6.12 113.076 -178.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -86.01 -55.55 3.89 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.651 -0.42 . . . . 2.3 111.752 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.5 p -91.02 -14.16 31.92 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.141 0.423 . . . . 1.36 112.141 -173.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 61.05 29.85 19.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.211 -0.904 . . . . 2.05 110.333 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -104.12 139.84 38.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.704 -0.68 . . . . 2.65 110.546 -177.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.464 ' HA ' HG23 ' A' ' 68' ' ' THR . 15.2 m -60.44 133.47 56.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.245 0.545 . . . . 1.28 111.467 -175.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -97.5 18.45 15.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.864 -0.607 . . . . 2.76 111.189 -176.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.47 16.7 80.47 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.956 -0.64 . . . . 0.31 114.303 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.546 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 47.7 p90 -156.49 167.64 29.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.267 0.534 . . . . 1.11 110.497 176.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.487 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -151.26 -177.19 24.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.17 113.038 -175.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.403 ' HD1' HD12 ' A' ' 67' ' ' ILE . 47.8 m-85 -132.36 139.76 48.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.58 0.705 . . . . 0.43 111.904 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.6 t -127.16 126.61 68.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 114.401 -1.272 . . . . 1.06 109.574 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 m -106.43 110.36 22.55 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.06 -1.089 . . . . 1.07 108.06 175.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.49 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.4 mmm -83.48 149.41 26.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.083 0.468 . . . . 1.06 110.001 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.436 ' HE2' ' HG2' ' A' ' 62' ' ' GLU . 12.3 ttmt -76.33 -17.11 59.58 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.624 -0.716 . . . . 2.07 110.883 -177.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.8 147.33 38.88 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.399 -0.364 . . . . 1.02 111.084 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.524 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 33.0 ttm180 -63.99 -44.33 93.0 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 112.75 0.648 . . . . 3.61 112.75 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.644 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -64.57 -40.37 95.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.891 0.377 . . . . 1.1 110.519 -175.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.522 ' HB3' ' HA3' ' A' ' 59' ' ' GLY . 16.1 m -62.36 -43.47 98.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.637 -0.71 . . . . 1.04 109.977 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.49 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -63.17 -42.35 99.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.237 -0.892 . . . . 0.96 111.572 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -69.51 -37.14 77.03 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.395 -0.366 . . . . 2.08 111.126 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.644 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 49.4 mtp180 -59.8 -38.74 82.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.995 0.426 . . . . 3.84 110.07 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.404 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -63.21 -39.34 94.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.542 -0.754 . . . . 1.03 111.385 174.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 61.4 m -82.28 -9.32 59.52 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.073 0.397 . . . . 0.34 112.073 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -64.79 -35.38 80.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.665 0.269 . . . . 3.42 111.088 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -113.46 92.67 24.14 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 108.228 -1.027 . . . . 1.12 108.228 172.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.523 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 56.9 Cg_endo -69.72 2.55 3.41 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.225 2.616 . . . . 0.57 114.233 -170.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.502 ' N ' ' HD3' ' A' ' 98' ' ' PRO . 15.7 m120 -126.08 53.87 9.77 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 112.873 0.694 . . . . 0.7 112.873 -176.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 3.4 Cg_exo -74.29 144.15 32.62 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.428 2.085 . . . . 0.81 112.087 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.1 mm -81.64 110.96 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.839 -0.43 . . . . 1.15 109.839 176.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.9 mt -121.57 122.98 68.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.488 -0.324 . . . . 1.16 110.927 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.9 t70 58.84 39.37 24.06 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.783 0.801 . . . . 1.33 110.243 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.55 6.81 87.01 Favored Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.366 -0.834 . . . . 0.59 113.723 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.432 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 52.8 ttt180 -133.09 134.27 44.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.937 0.368 . . . . 2.41 110.754 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.422 ' HD3' ' HB3' ' A' ' 97' ' ' ASN . 23.5 ttmm -67.53 123.45 20.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.983 0.421 . . . . 2.43 110.147 177.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.58 160.15 15.9 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.305 -0.861 . . . . 1.04 110.255 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.523 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 94.9 m-20 -111.01 115.35 29.33 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.843 -0.799 . . . . 1.53 108.843 177.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.444 HG23 HG11 ' A' ' 39' ' ' VAL . 91.1 t -114.39 128.18 71.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.05 -0.523 . . . . 1.14 111.596 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -152.73 153.55 33.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.875 -0.602 . . . . 0.68 109.74 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.402 HD21 HG12 ' A' ' 37' ' ' ILE . 98.5 mt -56.48 130.35 44.55 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.756 -0.461 . . . . 1.08 109.756 173.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.08 -32.11 69.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.328 0.862 . . . . 1.02 113.328 -168.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -67.85 -15.06 63.44 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.734 -0.386 . . . . 1.01 111.527 -176.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.5 mt -74.17 -8.14 55.11 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.594 0.59 . . . . 1.15 112.594 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -150.82 13.37 0.87 Allowed Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 120.182 -1.008 . . . . 0.41 112.311 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 115.873 -0.163 . . . . 1.18 111.043 -179.088 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.628 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 34.9 p . . . . . 0 C--O 1.226 -0.175 0 CA-C-O 120.533 0.206 . . . . 1.26 111.058 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 57.9 ttm -51.66 -54.74 24.76 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.003 0.742 . . . . 1.46 113.003 -173.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.574 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 79.5 m-85 -105.34 -0.53 26.11 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 120.765 -0.374 . . . . 1.01 111.274 -177.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.529 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 32.3 p -104.43 -25.03 12.97 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 111.803 0.298 . . . . 1.06 111.803 -175.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.628 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 54.4 tttm -87.69 112.05 21.95 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 121.299 0.571 . . . . 1.86 110.087 -177.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 89' ' ' ALA . 67.0 mt -99.6 134.75 37.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.295 -0.866 . . . . 1.09 110.173 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -99.13 123.77 43.67 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.097 -0.705 . . . . 0.36 109.097 172.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.474 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 6.4 t -105.73 124.51 60.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.684 -0.487 . . . . 1.06 109.684 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.71 155.9 19.82 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.826 -0.702 . . . . 0.24 112.501 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.16 26.97 60.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.711 -0.757 . . . . 0.25 112.56 177.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.456 HD12 HD22 ' A' ' 51' ' ' LEU . 87.0 mt -84.64 142.98 40.29 Favored Pre-proline 0 C--N 1.323 -0.568 0 C-N-CA 122.214 0.206 . . . . 0.96 110.501 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.53 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 18.8 Cg_endo -62.22 141.1 86.77 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.972 1.781 . . . . 0.33 110.068 171.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -59.62 -30.19 68.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.492 0.553 . . . . 1.01 112.492 -171.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.445 ' HD2' ' HB2' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -76.83 -10.16 59.18 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.166 0.432 . . . . 3.21 112.166 -177.241 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.53 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 51.7 m -56.99 136.18 56.25 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.0 0.428 . . . . 1.13 111.441 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.0 p -111.58 166.47 11.12 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.98 -0.555 . . . . 0.59 110.928 -176.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -53.29 -36.13 60.85 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.606 -0.725 . . . . 0.55 110.305 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HZ3' ' HB2' ' A' ' 49' ' ' LYS . 4.0 ttmp? -60.58 -42.76 97.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.341 -0.845 . . . . 2.74 110.855 178.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.473 ' HB ' HG21 ' A' ' 46' ' ' THR . 17.2 m -61.45 -41.44 97.22 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.838 0.351 . . . . 1.16 110.711 -178.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.456 HD22 HD12 ' A' ' 42' ' ' LEU . 26.2 mt -71.31 -41.9 69.31 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.222 -0.445 . . . . 1.09 110.484 177.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -56.26 -55.65 30.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.506 -0.77 . . . . 0.93 110.702 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.17 -45.68 90.39 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.508 0.559 . . . . 2.68 112.508 -177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -69.41 -53.35 19.81 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.541 -0.464 . . . . 1.38 111.93 -172.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.457 ' HB2' HD12 ' A' ' 61' ' ' ILE . 69.0 m-85 -72.9 -28.36 62.42 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.807 1.04 . . . . 0.34 113.807 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' HB3' HD13 ' A' ' 61' ' ' ILE . 15.9 pt-20 -70.0 -15.92 63.09 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.129 -0.628 . . . . 1.93 110.927 -175.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -70.47 -7.63 44.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.482 -0.326 . . . . 2.59 111.351 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -91.28 -15.06 29.77 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.872 0.368 . . . . 0.36 110.507 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.11 -111.36 0.44 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.916 -0.659 . . . . 1.36 112.615 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -127.07 123.76 37.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.736 0.303 . . . . 0.69 111.171 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.491 HD13 ' HB3' ' A' ' 56' ' ' GLU . 25.5 mt -94.84 133.6 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.069 0.462 . . . . 1.06 111.248 174.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -88.59 -37.94 15.26 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.665 -0.698 . . . . 1.59 110.268 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -159.33 134.31 8.14 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.155 -0.683 . . . . 2.3 109.155 177.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.475 ' HB1' HG22 ' A' ' 61' ' ' ILE . . . -138.02 115.63 11.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.949 0.34 . . . . 1.04 111.113 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.76 149.03 23.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.151 0.5 . . . . 1.16 112.257 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.47 HG22 HG23 ' A' ' 46' ' ' THR . 99.0 t -91.02 135.15 27.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 107.861 -1.162 . . . . 1.08 107.861 171.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.883 HG12 ' HA2' ' A' ' 79' ' ' GLY . 24.9 mm -84.02 126.5 40.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.262 0.553 . . . . 1.07 111.073 -168.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.8 p -119.11 145.8 45.65 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.02 -0.991 . . . . 1.06 108.804 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' HB3' ' OG1' ' A' ' 72' ' ' THR . 20.5 t70 -57.77 137.88 56.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.219 0.533 . . . . 0.64 111.879 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -57.71 -33.76 68.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.139 -0.937 . . . . 6.12 112.908 -176.508 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -97.24 -16.4 20.38 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.744 1.016 . . . . 2.3 113.744 -173.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.403 ' OG1' ' HB3' ' A' ' 69' ' ' ASP . 33.0 p -123.28 -24.22 4.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.425 0.631 . . . . 1.36 111.023 -173.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 64.78 29.4 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.402 -1.272 . . . . 2.05 109.878 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -93.75 134.16 36.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.948 -1.024 . . . . 2.65 109.701 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.5 m -60.27 134.37 56.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.177 0.513 . . . . 1.28 110.856 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.4 mtp85 -91.89 11.08 26.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.511 0.672 . . . . 2.76 109.949 -177.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.42 17.91 79.84 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.984 -1.007 . . . . 0.31 112.88 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.474 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 26.4 p90 -154.89 167.39 30.46 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.361 -0.607 . . . . 1.11 109.361 177.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.883 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -157.82 -171.51 23.87 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.297 -0.954 . . . . 0.17 112.693 -176.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -133.18 138.85 46.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.918 0.866 . . . . 0.43 111.671 -178.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.4 t -123.32 124.74 70.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-N 113.908 -1.497 . . . . 1.06 109.345 174.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.6 m -106.32 107.69 18.83 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.19 -1.041 . . . . 1.07 108.19 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.522 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.2 mmm -85.59 140.61 30.47 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.9 -0.408 . . . . 1.06 109.9 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -68.42 -17.59 64.25 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.535 -0.757 . . . . 2.07 110.613 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -141.37 148.36 39.52 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-O 120.843 0.354 . . . . 1.02 110.627 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.574 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 52.8 ttt180 -63.36 -42.98 98.93 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.912 -0.585 . . . . 3.61 111.961 -177.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.484 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -61.96 -40.37 95.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.905 0.383 . . . . 1.1 110.649 -172.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.3 m -64.54 -43.94 92.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.925 -0.579 . . . . 1.04 110.153 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.662 ' HA ' HD12 ' A' ' 37' ' ' ILE . . . -62.99 -44.72 95.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.823 -0.626 . . . . 0.96 111.363 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.412 ' HG2' ' NZ ' ' A' ' 94' ' ' LYS . 45.6 tt0 -69.94 -34.81 73.93 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.965 -0.562 . . . . 2.08 111.913 -175.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 16.3 mtm180 -60.87 -39.69 90.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.938 -0.764 . . . . 3.84 108.938 175.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.89 98.48 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.476 -0.784 . . . . 1.03 111.381 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.9 m -82.31 -11.75 58.43 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.404 0.52 . . . . 0.34 112.404 -176.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -68.15 -31.74 71.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.778 0.323 . . . . 3.42 110.175 -176.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -105.07 111.23 65.19 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.034 -0.728 . . . . 1.12 109.034 172.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.609 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.0 Cg_endo -70.57 -13.47 32.65 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.434 2.09 . . . . 0.57 114.462 -175.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.561 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 7.9 m120 -134.36 64.21 63.81 Favored Pre-proline 0 N--CA 1.466 0.356 0 N-CA-C 112.965 0.728 . . . . 0.7 112.965 -173.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 8.4 Cg_exo -73.99 145.18 35.3 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.594 2.196 . . . . 0.81 111.43 171.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.3 mm -83.67 111.83 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.109 -0.33 . . . . 1.15 110.109 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.4 mt -124.56 132.9 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.132 -0.486 . . . . 1.16 110.362 -178.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 t0 58.43 33.06 22.8 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.46 0.648 . . . . 1.33 110.113 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.39 12.78 80.09 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 116.034 -0.53 . . . . 0.59 113.138 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -134.23 141.08 46.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.979 0.418 . . . . 2.41 111.622 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -66.76 119.54 12.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.879 0.371 . . . . 2.43 110.524 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.53 159.38 16.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.047 -0.524 . . . . 1.04 110.605 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.609 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 32.1 t-20 -113.07 116.34 29.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.214 -0.661 . . . . 1.53 109.214 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 38.4 t -111.6 140.94 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.107 0.479 . . . . 1.14 111.947 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -160.16 147.9 16.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.737 -0.665 . . . . 0.68 109.484 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.9 mt -55.72 127.56 30.59 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.802 -0.444 . . . . 1.08 109.802 171.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.61 -31.53 72.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.291 0.849 . . . . 1.02 113.291 -168.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -69.02 -17.83 63.96 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.444 -0.502 . . . . 1.01 110.857 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 81.2 mt -71.64 -7.9 50.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.924 -0.58 . . . . 1.15 112.182 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.17 13.36 1.09 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.373 -0.918 . . . . 0.41 112.449 -175.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 C-N-CA 120.761 -0.376 . . . . 1.18 110.546 -179.833 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 111.807 0.299 . . . . 1.26 111.807 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 76.3 mtp -56.5 -49.82 73.59 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.764 0.653 . . . . 1.46 112.764 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -104.72 -0.13 27.72 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.969 -0.457 . . . . 1.01 111.156 -173.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.8 p -109.97 -21.73 12.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.855 0.359 . . . . 1.06 111.881 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HB2' HG23 ' A' ' 32' ' ' THR . 81.8 tttt -92.67 117.61 30.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 1.86 110.054 -175.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' A' ' 89' ' ' ALA . 63.3 mt -102.06 133.83 44.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.903 -0.59 . . . . 1.09 110.365 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -98.6 124.09 43.17 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.35 -0.981 . . . . 0.36 108.35 171.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.558 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.2 t -109.73 130.98 61.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.378 -0.601 . . . . 1.06 109.378 -177.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.23 165.25 20.47 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.086 -0.578 . . . . 0.24 111.697 -173.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.99 10.18 67.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.565 -0.826 . . . . 0.25 112.959 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.4 132.25 94.3 Favored Pre-proline 0 C--N 1.326 -0.425 0 C-N-CA 122.249 0.22 . . . . 0.96 110.629 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.679 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 18.2 Cg_endo -59.71 143.23 99.68 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.086 1.857 . . . . 0.33 109.79 174.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -62.32 -14.19 36.78 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.033 0.383 . . . . 1.01 112.033 -173.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -75.07 -22.15 58.51 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 121.125 -0.23 . . . . 3.21 111.3 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.6 m -54.65 130.72 41.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.816 0.341 . . . . 1.13 111.571 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.8 p -111.91 165.38 12.14 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.306 -0.406 . . . . 0.59 110.326 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -54.0 -35.35 61.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.705 -0.68 . . . . 0.55 110.653 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.758 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 18.1 ttmm -65.5 -42.18 92.39 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.655 -0.702 . . . . 2.74 110.616 177.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.1 m -61.61 -39.06 89.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.348 . . . . 1.16 111.051 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.0 mt -70.9 -43.4 68.39 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.742 -0.466 . . . . 1.09 109.742 177.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 52.7 t-80 -56.05 -56.29 22.61 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.601 -0.727 . . . . 0.93 110.818 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.758 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 3.6 mm-40 -59.61 -39.94 85.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.748 0.277 . . . . 2.68 111.748 -175.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -70.53 -55.49 8.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.992 0.425 . . . . 1.38 111.676 -174.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.535 ' HB2' HD12 ' A' ' 61' ' ' ILE . 82.5 m-85 -74.34 -27.33 60.63 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.743 1.016 . . . . 0.34 113.743 -176.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -61.16 -24.48 66.32 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.07 0.462 . . . . 1.93 111.453 -177.537 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -72.29 -7.61 50.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.972 -0.558 . . . . 2.59 111.993 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 82.9 m-85 -91.62 -31.67 15.78 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.421 0.526 . . . . 0.36 112.421 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.814 ' HA3' ' HB3' ' A' ' 88' ' ' SER . . . 155.99 60.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 119.033 -1.556 . . . . 1.36 114.273 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.433 ' HB3' ' HE3' ' A' ' 84' ' ' LYS . 2.8 m-20 72.82 123.17 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 124.309 1.044 . . . . 0.69 113.382 171.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.535 HD12 ' HB2' ' A' ' 55' ' ' PHE . 13.7 mt -101.11 136.85 30.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.147 -0.933 . . . . 1.06 112.059 172.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.505 ' OE1' ' HE2' ' A' ' 84' ' ' LYS . 13.8 mm-40 -80.87 -48.98 11.62 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.515 -1.221 . . . . 1.59 109.958 170.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -154.54 139.13 16.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.006 -0.997 . . . . 2.3 110.555 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.483 ' HB3' HD11 ' A' ' 61' ' ' ILE . . . -137.36 114.62 10.9 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.188 -0.301 . . . . 1.04 110.188 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.6 m -139.04 149.24 23.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.88 0.372 . . . . 1.16 111.578 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.8 t -91.92 134.02 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.462 -0.94 . . . . 1.08 108.462 170.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.838 HG12 ' HA2' ' A' ' 79' ' ' GLY . 29.9 mm -83.19 125.53 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 CA-C-O 121.662 0.744 . . . . 1.07 111.071 -170.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.526 HG23 ' HA ' ' A' ' 75' ' ' SER . 37.9 p -123.71 148.0 46.95 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 114.601 -1.181 . . . . 1.06 108.838 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 73' ' ' GLN . 4.7 t70 -57.52 136.41 56.71 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.843 -0.343 . . . . 0.64 110.394 173.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -57.61 -39.2 76.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.05 0.453 . . . . 6.12 111.167 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.42 ' HB2' ' OD2' ' A' ' 69' ' ' ASP . 52.6 m-80 -75.02 -58.68 3.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 2.3 112.012 -172.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.3 p -92.39 -21.72 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.151 0.426 . . . . 1.36 112.151 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.424 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 64.9 mt-30 67.89 27.89 7.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.367 -0.833 . . . . 2.05 110.183 177.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -87.67 135.51 33.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.985 -1.007 . . . . 2.65 109.468 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.526 ' HA ' HG23 ' A' ' 68' ' ' THR . 11.0 p -58.54 129.75 43.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.243 0.544 . . . . 1.28 111.079 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -90.8 11.53 22.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.862 -0.608 . . . . 2.76 110.424 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.3 18.27 79.81 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.457 -0.792 . . . . 0.31 113.735 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.558 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 47.9 p90 -157.38 168.56 27.0 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.745 -0.465 . . . . 1.11 109.745 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.838 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -159.28 -171.7 25.44 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.339 -0.934 . . . . 0.17 112.629 -175.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -131.27 139.24 49.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.563 0.697 . . . . 0.43 112.028 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.6 t -125.59 127.33 71.53 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 114.612 -1.176 . . . . 1.06 109.027 167.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.8 m -104.47 110.18 22.35 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 107.554 -1.276 . . . . 1.07 107.554 173.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.536 ' CE ' ' HB2' ' A' ' 88' ' ' SER . 97.7 mmm -84.53 153.7 23.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.105 0.479 . . . . 1.06 109.854 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.505 ' HE2' ' OE1' ' A' ' 62' ' ' GLU . 26.4 ttmt -73.69 -17.95 61.07 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.165 -0.925 . . . . 2.07 110.636 -176.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -145.27 154.22 42.13 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.994 -0.548 . . . . 1.02 110.433 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -65.17 -42.54 93.57 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.705 -0.68 . . . . 3.61 111.826 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.741 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -66.83 -39.92 87.81 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.28 -0.168 . . . . 1.1 111.179 -175.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.814 ' HB3' ' HA3' ' A' ' 59' ' ' GLY . 1.4 p -61.83 -44.01 97.69 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.356 0.598 . . . . 1.04 109.785 177.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.574 ' HA ' HD12 ' A' ' 37' ' ' ILE . . . -62.19 -41.56 98.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.07 -0.968 . . . . 0.96 110.917 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -70.73 -38.77 73.61 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 112.571 0.582 . . . . 2.08 112.571 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.741 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 90.1 mtt180 -61.7 -36.25 80.36 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 119.811 -0.756 . . . . 3.84 109.091 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.431 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -64.9 -37.63 88.27 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.067 -0.969 . . . . 1.03 111.551 172.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 78.5 m -80.01 -11.65 59.77 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.559 0.219 . . . . 0.34 111.521 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 94' ' ' LYS . 24.1 tptp -71.23 -26.47 62.94 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.677 -0.409 . . . . 3.42 110.404 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -103.26 89.73 2.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 108.011 -1.107 . . . . 1.12 108.011 168.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.571 ' C ' HD21 ' A' ' 97' ' ' ASN . 58.1 Cg_endo -70.03 -14.39 35.16 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.733 2.288 . . . . 0.57 113.283 -171.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.571 HD21 ' C ' ' A' ' 96' ' ' PRO . 1.1 m-80 -128.87 59.87 46.35 Favored Pre-proline 0 C--O 1.237 0.447 0 N-CA-C 111.754 0.279 . . . . 0.7 111.754 -175.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.422 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 5.3 Cg_exo -73.1 146.12 40.59 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.587 2.192 . . . . 0.81 112.205 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.5 mm -84.79 110.98 19.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.097 0.475 . . . . 1.15 110.409 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.5 mt -121.98 119.87 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.727 -0.669 . . . . 1.16 110.012 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.464 ' HB3' ' CG ' ' A' ' 43' ' ' PRO . 22.2 t70 59.67 34.95 22.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.808 0.813 . . . . 1.33 110.516 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.4 0.31 86.53 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.592 -0.731 . . . . 0.59 113.672 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.679 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 17.9 tpt180 -116.05 137.59 51.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.057 0.428 . . . . 2.41 110.331 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.456 ' HD3' ' OD1' ' A' ' 97' ' ' ASN . 24.2 ttmm -71.43 119.34 15.44 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.641 -0.503 . . . . 2.43 109.641 173.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.03 159.78 16.04 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.212 -0.449 . . . . 1.04 110.999 -176.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -104.04 135.03 46.31 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.415 -0.811 . . . . 1.53 109.471 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 61.6 t -132.15 127.22 57.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.219 -0.446 . . . . 1.14 111.139 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -159.28 148.22 18.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.881 -0.6 . . . . 0.68 109.87 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.8 mt -56.11 127.35 30.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.12 -0.696 . . . . 1.08 109.12 172.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.72 -35.39 68.49 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.906 0.706 . . . . 1.02 112.906 -170.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.36 -19.15 65.39 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.77 -0.372 . . . . 1.01 111.206 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.5 mt -72.52 -7.85 52.13 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 112.236 0.458 . . . . 1.15 112.236 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.12 13.56 2.34 Favored Glycine 0 C--N 1.322 -0.231 0 N-CA-C 111.144 -0.782 . . . . 0.41 111.144 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.435 -0.383 . . . . 1.18 110.548 -179.308 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.474 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 120.727 0.299 . . . . 1.26 111.242 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.3 ttt -53.62 -51.49 62.91 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.316 0.487 . . . . 1.46 112.316 -177.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -105.33 0.75 27.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.826 0.346 . . . . 1.01 111.709 -174.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.474 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 10.7 p -108.13 -17.27 14.07 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.95 0.405 . . . . 1.06 111.426 -176.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -89.34 113.87 25.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.088 -0.505 . . . . 1.86 110.239 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 89' ' ' ALA . 57.6 mt -100.61 134.64 39.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.632 -0.713 . . . . 1.09 110.721 -178.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -100.43 123.62 44.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.523 -0.547 . . . . 0.36 109.523 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.604 HG11 HG23 ' A' ' 107' ' ' VAL . 5.2 t -106.22 125.83 61.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.945 -0.391 . . . . 1.06 109.945 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.4 157.46 20.84 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.168 -0.539 . . . . 0.24 112.212 -173.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.502 ' O ' ' HD3' ' A' ' 103' ' ' ARG . . . 84.49 5.51 86.82 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.719 -0.753 . . . . 0.25 112.639 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.93 130.04 93.97 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 122.315 0.246 . . . . 0.96 111.201 -177.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.442 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 9.9 Cg_endo -57.08 143.37 93.14 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.21 1.94 . . . . 0.33 109.91 170.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -59.93 -28.35 67.53 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.193 0.442 . . . . 1.01 112.193 -172.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.437 ' HD2' ' HB2' ' A' ' 43' ' ' PRO . 2.9 p80 -81.12 -8.3 59.74 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.723 0.638 . . . . 3.21 112.723 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.442 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 49.9 m -56.13 138.63 49.42 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.86 0.362 . . . . 1.13 111.165 173.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.5 p -110.71 161.76 15.44 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 121.22 0.533 . . . . 0.59 111.256 -176.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -53.8 -34.26 58.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.413 -0.812 . . . . 0.55 110.72 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -67.28 -36.22 81.1 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 116.21 -0.45 . . . . 2.74 110.805 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.1 m -65.37 -39.14 91.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.703 0.287 . . . . 1.16 111.174 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.401 HD23 ' HE1' ' A' ' 55' ' ' PHE . 25.1 mt -70.41 -42.82 71.13 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.095 -0.642 . . . . 1.09 109.765 177.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -55.81 -56.51 19.71 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.687 -0.688 . . . . 0.93 110.656 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.416 ' HA ' ' OE2' ' A' ' 56' ' ' GLU . 9.3 pt-20 -60.29 -41.99 94.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.889 0.7 . . . . 2.68 112.889 -174.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -69.78 -52.91 21.1 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.382 -0.372 . . . . 1.38 110.857 -175.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.401 ' HE1' HD23 ' A' ' 51' ' ' LEU . 71.3 m-85 -74.56 -27.66 60.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.614 0.968 . . . . 0.34 113.614 -177.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.416 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 11.1 pt-20 -64.53 -21.29 66.65 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.009 0.433 . . . . 1.93 110.945 -175.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -72.26 -7.75 51.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.233 -0.439 . . . . 2.59 111.181 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -91.62 1.44 57.15 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.63 -0.259 . . . . 0.36 111.553 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.92 -120.16 1.23 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.159 -1.019 . . . . 1.36 113.003 -175.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -126.97 128.98 47.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.65 0.262 . . . . 0.69 110.727 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.432 HG12 ' SD ' ' A' ' 83' ' ' MET . 31.6 mt -100.83 139.92 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.216 0.532 . . . . 1.06 111.883 176.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -88.04 -46.23 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.132 -0.94 . . . . 1.59 110.073 172.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -145.69 134.82 22.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.976 -0.557 . . . . 2.3 109.603 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.46 113.18 10.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 118.193 0.452 . . . . 1.04 110.08 173.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 m -140.06 150.56 21.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.063 0.458 . . . . 1.16 112.038 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.8 t -95.27 134.21 33.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 107.226 -1.398 . . . . 1.08 107.226 168.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.855 HG12 ' HA2' ' A' ' 79' ' ' GLY . 21.5 mm -82.45 128.42 38.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.248 0.547 . . . . 1.07 111.438 -167.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 38.8 p -124.87 145.69 49.67 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.013 -0.994 . . . . 1.06 108.933 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 73' ' ' GLN . 25.9 t70 -59.01 138.23 57.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.002 0.371 . . . . 0.64 112.002 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -27.88 67.68 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.761 1.023 . . . . 6.12 113.761 -177.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -97.71 -50.52 4.43 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.55 0.574 . . . . 2.3 112.55 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.1 p -89.69 -16.47 30.34 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.25 0.548 . . . . 1.36 111.111 -175.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 17.2 mt-30 62.08 29.46 17.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.768 -1.106 . . . . 2.05 110.648 175.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -92.81 133.37 36.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.793 -0.64 . . . . 2.65 110.401 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 m -59.19 128.02 35.06 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 123.476 0.485 . . . . 1.28 110.365 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.553 ' HD2' HG23 ' A' ' 67' ' ' ILE . 78.1 mtt180 -89.72 12.98 15.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.711 -0.677 . . . . 2.76 111.398 -171.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.25 11.17 82.1 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.695 -0.764 . . . . 0.31 113.501 -178.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 35.1 p90 -152.32 167.11 29.74 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.758 -0.46 . . . . 1.11 109.758 178.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.855 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -154.75 -176.53 27.1 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.414 -0.898 . . . . 0.17 112.794 -175.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -133.83 138.92 45.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.93 0.872 . . . . 0.43 112.238 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.2 t -128.73 126.64 65.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 114.156 -1.384 . . . . 1.06 109.662 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.4 m -104.54 110.21 22.41 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.748 -0.834 . . . . 1.07 108.748 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.592 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.5 mmm -84.36 140.21 31.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.336 0.589 . . . . 1.06 109.918 -178.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.42 ' HE3' ' HB2' ' A' ' 84' ' ' LYS . 32.5 ttmt -68.78 -16.45 63.8 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.939 -1.028 . . . . 2.07 110.609 -179.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.8 146.42 39.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.067 -0.515 . . . . 1.02 110.459 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -67.0 -42.45 84.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.934 -0.575 . . . . 3.61 112.417 -176.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.651 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -62.45 -41.03 98.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.809 0.337 . . . . 1.1 110.379 -176.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -62.4 -43.73 98.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.832 -0.622 . . . . 1.04 109.845 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.649 ' HA ' HD12 ' A' ' 37' ' ' ILE . . . -62.19 -41.52 98.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.338 -0.846 . . . . 0.96 110.959 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -69.68 -39.07 77.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.921 -0.581 . . . . 2.08 111.376 -176.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 21.2 mmm180 -60.66 -39.26 87.71 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.848 -0.427 . . . . 3.84 109.848 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.58 94.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.609 -0.723 . . . . 1.03 111.295 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.8 m -82.13 -14.81 55.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.535 . . . . 0.34 112.215 -176.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 94' ' ' LYS . 42.6 tptt -70.81 -31.79 68.64 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.007 -0.277 . . . . 3.42 111.259 -172.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -109.23 88.18 5.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 108.032 -1.099 . . . . 1.12 108.032 169.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.568 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 58.0 Cg_endo -69.72 0.9 4.95 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 123.499 2.799 . . . . 0.57 114.28 -168.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.502 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 16.6 m120 -125.59 57.62 18.62 Favored Pre-proline 0 CA--C 1.535 0.384 0 N-CA-C 112.339 0.496 . . . . 0.7 112.339 -177.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.497 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 3.4 Cg_exo -74.85 144.67 31.1 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.449 2.099 . . . . 0.81 111.887 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.2 mm -82.18 109.41 16.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.113 -0.699 . . . . 1.15 109.113 173.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.1 mt -123.89 121.58 62.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.684 -0.689 . . . . 1.16 110.221 -177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.5 t0 59.79 37.98 21.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.914 0.864 . . . . 1.33 110.26 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.94 11.92 85.09 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 114.851 -1.068 . . . . 0.59 114.189 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.502 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 60.9 ttt180 -133.81 149.87 51.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.416 0.608 . . . . 2.41 110.474 176.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -77.99 121.76 24.64 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.54 -0.541 . . . . 2.43 109.54 174.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.502 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.13 159.34 16.39 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.771 -0.649 . . . . 1.04 110.623 -176.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.568 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 77.9 m-20 -114.84 115.6 27.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.144 -0.687 . . . . 1.53 109.144 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.604 HG23 HG11 ' A' ' 39' ' ' VAL . 57.2 t -120.26 138.28 51.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.956 0.407 . . . . 1.14 111.833 -174.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -158.77 159.7 35.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.914 -0.585 . . . . 0.68 110.188 174.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 98.4 mt -55.77 132.23 48.78 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.85 0.357 . . . . 1.08 110.066 173.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.89 -33.12 75.0 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.25 0.833 . . . . 1.02 113.25 -167.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -68.08 -12.11 60.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.851 0.358 . . . . 1.01 111.243 -175.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.4 mt -74.87 -8.1 55.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 1.15 112.126 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -153.35 13.51 0.61 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.401 -0.904 . . . . 0.41 112.051 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 120.99 0.424 . . . . 1.18 111.707 -177.437 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.613 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 7.0 p . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 112.062 0.393 . . . . 1.26 112.062 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.2 ttt -51.9 -55.5 19.81 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.407 0.892 . . . . 1.46 113.407 -171.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.539 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 66.1 m-85 -107.74 -2.08 20.37 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.628 -0.429 . . . . 1.01 112.046 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.1 p -102.64 -18.93 15.0 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 111.857 0.317 . . . . 1.06 111.857 -173.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.613 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 87.1 tttt -92.95 113.55 25.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.354 0.597 . . . . 1.86 110.903 -177.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 89' ' ' ALA . 64.0 mt -100.88 134.52 40.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.3 -0.864 . . . . 1.09 110.372 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -93.55 123.1 36.64 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.258 -0.645 . . . . 0.36 109.258 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.498 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 6.5 t -105.11 119.7 54.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.984 -0.747 . . . . 1.06 108.984 178.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.85 154.46 19.3 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.824 -0.703 . . . . 0.24 112.337 -172.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.49 23.84 64.25 Favored Glycine 0 C--O 1.23 -0.137 0 C-N-CA 120.729 -0.748 . . . . 0.25 112.807 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.9 mt -78.99 140.99 58.14 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.639 0.256 . . . . 0.96 110.818 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.463 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 33.9 Cg_endo -66.49 148.22 83.48 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.049 1.833 . . . . 0.33 110.239 171.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -64.85 -14.67 60.22 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 111.764 0.283 . . . . 1.01 111.764 -176.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -75.53 -21.56 57.85 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 121.048 -0.261 . . . . 3.21 111.296 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -55.91 131.12 46.3 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.182 0.515 . . . . 1.13 112.038 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.7 p -111.42 163.62 13.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.637 -0.71 . . . . 0.59 109.765 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.06 -35.52 64.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.298 0.571 . . . . 0.55 110.679 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.52 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 2.7 ttmp? -62.37 -42.19 99.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.801 . . . . 2.74 110.893 175.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.7 m -61.22 -39.36 89.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 1.16 110.934 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.7 mt -71.4 -44.73 64.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.074 0.464 . . . . 1.09 110.139 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -56.4 -55.49 32.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.437 -0.802 . . . . 0.93 111.018 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 8.4 mm-40 -61.2 -41.39 96.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.858 0.688 . . . . 2.68 112.858 -177.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -70.72 -53.17 16.62 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.569 -0.453 . . . . 1.38 111.731 -176.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.468 ' CD1' HG22 ' A' ' 81' ' ' VAL . 62.2 m-85 -71.92 -26.64 62.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.328 0.862 . . . . 0.34 113.328 -176.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -17.59 63.57 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.741 -0.384 . . . . 1.93 111.19 -176.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -67.47 -8.86 36.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 2.59 111.77 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.403 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 49.9 m-85 -91.66 -14.33 30.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.586 0.231 . . . . 0.36 110.989 177.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 160.72 -107.23 0.31 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.744 -0.741 . . . . 1.36 112.231 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -131.21 136.09 47.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.088 0.471 . . . . 0.69 111.457 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.438 HG12 ' SD ' ' A' ' 83' ' ' MET . 47.6 mt -107.79 134.4 49.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.639 -0.709 . . . . 1.06 110.202 177.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -81.42 -41.91 21.18 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.037 -0.727 . . . . 1.59 109.037 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -159.41 138.79 11.35 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.182 -0.917 . . . . 2.3 110.34 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.26 115.42 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.106 -0.331 . . . . 1.04 110.106 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.8 m -137.6 152.01 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.953 0.406 . . . . 1.16 111.909 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.26 134.74 33.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.196 -1.039 . . . . 1.08 108.196 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.465 HG12 ' HA2' ' A' ' 79' ' ' GLY . 20.5 mm -89.07 126.39 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.823 0.82 . . . . 1.07 111.136 -169.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.635 HG23 ' HA ' ' A' ' 75' ' ' SER . 74.2 p -122.16 154.16 37.8 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.359 -1.291 . . . . 1.06 109.518 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -56.0 125.48 21.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.808 -0.442 . . . . 0.64 109.808 171.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -59.15 -22.0 60.23 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.749 0.648 . . . . 6.12 112.749 -173.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -90.28 -53.68 4.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.76 0.281 . . . . 2.3 111.76 -175.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.6 p -91.97 -17.56 24.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.963 0.411 . . . . 1.36 111.334 -176.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 64.67 32.02 11.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.499 -0.773 . . . . 2.05 110.748 175.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -100.64 140.97 34.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.027 -0.988 . . . . 2.65 109.713 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.635 ' HA ' HG23 ' A' ' 68' ' ' THR . 33.4 t -59.3 135.2 57.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.286 0.565 . . . . 1.28 111.616 -176.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -97.04 10.03 40.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.246 -0.888 . . . . 2.76 109.564 176.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.6 23.28 75.68 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 114.965 -1.016 . . . . 0.31 114.224 177.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.498 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 55.3 p90 -156.01 168.42 27.3 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 117.326 0.563 . . . . 1.11 109.55 175.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.465 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -154.14 -175.29 25.21 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.187 -1.006 . . . . 0.17 112.731 -175.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -130.9 137.63 49.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.614 0.721 . . . . 0.43 110.929 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 55' ' ' PHE . 25.3 t -122.11 122.02 65.48 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 114.569 -1.196 . . . . 1.06 109.013 172.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.9 m -108.37 110.48 22.04 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 107.958 -1.127 . . . . 1.07 107.958 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.571 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.1 mmm -83.17 144.46 29.8 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.714 -0.476 . . . . 1.06 109.714 -176.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.666 ' HZ3' ' HB2' ' A' ' 84' ' ' LYS . 3.8 ttmp? -67.22 -17.82 64.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.453 -0.794 . . . . 2.07 110.175 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.75 146.43 39.51 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.83 -0.623 . . . . 1.02 110.946 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.539 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 71.1 ttt180 -62.76 -42.89 99.89 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.419 -0.809 . . . . 3.61 112.602 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.652 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -64.56 -41.04 96.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.8 0.333 . . . . 1.1 110.896 -175.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 m -62.99 -40.57 98.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.038 -0.528 . . . . 1.04 109.838 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.611 ' HA ' HD12 ' A' ' 37' ' ' ILE . . . -62.85 -41.22 99.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.58 -0.736 . . . . 0.96 111.199 178.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -69.29 -36.76 77.37 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.892 -0.595 . . . . 2.08 111.462 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.652 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 54.7 mtt180 -59.54 -41.83 90.98 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.302 -0.629 . . . . 3.84 109.302 177.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.403 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -62.14 -38.8 90.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.101 -0.954 . . . . 1.03 111.374 177.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 65.9 m -81.3 -10.31 59.59 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 112.355 0.502 . . . . 0.34 112.355 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -73.31 -32.92 64.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.607 0.241 . . . . 3.42 110.756 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -106.78 91.19 5.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.342 -0.984 . . . . 1.12 108.342 171.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.497 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 53.2 Cg_endo -69.68 -4.03 13.15 Favored 'Trans proline' 0 N--CA 1.467 -0.082 0 C-N-CA 123.055 2.504 . . . . 0.57 113.85 -172.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.536 ' HB3' ' HD3' ' A' ' 104' ' ' LYS . 16.2 m120 -127.28 58.64 31.85 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 113.15 0.796 . . . . 0.7 113.15 -175.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 4.3 Cg_exo -74.22 142.79 30.99 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.555 2.17 . . . . 0.81 112.204 177.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.1 mm -81.31 112.13 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 110.057 -0.349 . . . . 1.15 110.057 174.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.6 mt -122.21 120.23 60.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.206 -0.452 . . . . 1.16 110.21 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.2 t70 58.86 39.26 24.12 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 122.04 0.924 . . . . 1.33 110.483 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.0 13.75 80.74 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.202 -0.908 . . . . 0.59 113.272 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.463 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 62.6 ttt180 -134.22 139.88 46.1 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 117.139 0.47 . . . . 2.41 110.901 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.536 ' HD3' ' HB3' ' A' ' 97' ' ' ASN . 24.5 ttmm -74.83 126.9 31.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 2.43 110.172 178.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.512 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -108.56 160.11 16.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.585 -0.734 . . . . 1.04 110.678 -177.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.497 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 89.0 m-20 -110.69 114.93 28.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.994 -0.743 . . . . 1.53 108.994 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.3 t -116.44 131.32 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.278 0.473 . . . . 1.14 112.278 -173.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -155.51 157.69 37.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.68 110.225 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.6 mt -55.78 127.71 31.41 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.651 -0.5 . . . . 1.08 109.651 172.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.6 -31.74 72.94 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.623 0.971 . . . . 1.02 113.623 -166.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -68.15 -14.52 63.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.847 0.356 . . . . 1.01 111.501 -175.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.4 mt -78.21 -8.2 58.04 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.395 0.517 . . . . 1.15 112.395 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -141.64 11.82 2.69 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 120.138 -1.03 . . . . 0.41 112.997 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.916 0.358 . . . . 1.18 110.95 -178.229 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.634 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 6.9 p . . . . . 0 N--CA 1.449 -0.523 0 N-CA-C 111.932 0.345 . . . . 1.26 111.932 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.3 ttt -51.7 -53.71 36.19 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.842 0.682 . . . . 1.46 112.842 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -106.45 1.0 25.22 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.072 0.397 . . . . 1.01 112.072 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.575 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 34.0 p -106.06 -17.25 14.39 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.788 -0.365 . . . . 1.06 111.845 -175.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.634 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 84.7 tttt -93.69 113.58 25.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.484 0.659 . . . . 1.86 110.829 -176.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' A' ' 89' ' ' ALA . 63.5 mt -102.03 134.73 41.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.915 -1.039 . . . . 1.09 110.786 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -99.6 124.11 44.5 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.407 -0.59 . . . . 0.36 109.407 174.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.641 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.4 t -106.77 127.02 62.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.484 -0.562 . . . . 1.06 109.484 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.18 161.28 21.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.295 -0.479 . . . . 0.24 112.51 -175.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.23 13.08 83.68 Favored Glycine 0 C--O 1.229 -0.185 0 C-N-CA 121.087 -0.578 . . . . 0.25 112.707 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.8 mt -76.51 138.07 67.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.534 0.207 . . . . 0.96 111.017 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.494 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 9.6 Cg_endo -59.68 142.4 98.7 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.867 1.711 . . . . 0.33 110.269 171.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -58.53 -30.96 67.49 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.419 0.526 . . . . 1.01 112.419 -171.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.425 ' HD2' ' HB2' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -82.65 -3.74 56.72 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.821 0.674 . . . . 3.21 112.821 -176.137 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.2 m -55.08 139.06 42.71 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 117.907 0.321 . . . . 1.13 110.527 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.1 p -111.02 162.48 14.82 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 120.94 0.4 . . . . 0.59 110.794 -177.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.04 -33.58 57.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.445 -0.798 . . . . 0.55 110.269 176.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.616 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 40.2 ttmt -62.11 -44.46 96.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.834 -0.621 . . . . 2.74 110.985 176.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.3 m -61.43 -39.69 91.73 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.214 0.531 . . . . 1.16 110.809 -176.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 48.7 mt -71.28 -39.81 71.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.791 -0.64 . . . . 1.09 109.931 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -55.9 -55.54 31.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.873 -1.058 . . . . 0.93 110.792 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 7.0 mm-40 -60.0 -44.95 94.2 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.931 0.715 . . . . 2.68 112.931 -177.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.05 -52.86 20.63 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.385 -0.526 . . . . 1.38 112.109 -173.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -70.22 -27.75 64.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.508 0.929 . . . . 0.34 113.508 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -68.1 -15.28 63.52 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.378 -0.529 . . . . 1.93 110.881 -177.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -68.95 -10.66 58.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.445 -0.343 . . . . 2.59 111.27 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 72.3 m-85 -91.9 -15.97 27.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.64 -0.255 . . . . 0.36 111.466 177.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.31 -115.31 0.63 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.53 -0.843 . . . . 1.36 112.786 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' HB2' ' HB3' ' A' ' 84' ' ' LYS . 29.4 m-20 -125.96 132.9 51.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.731 -0.276 . . . . 0.69 110.307 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.425 HG12 ' SD ' ' A' ' 83' ' ' MET . 43.1 mt -105.21 140.24 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.168 0.509 . . . . 1.06 112.349 178.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -77.3 -54.55 6.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.129 -0.941 . . . . 1.59 109.545 170.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -155.44 141.99 18.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.299 -1.319 . . . . 2.3 110.11 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.51 115.3 12.13 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.023 -0.362 . . . . 1.04 110.023 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.15 152.66 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.606 0.595 . . . . 1.16 112.606 -174.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.2 t -98.13 135.54 32.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.316 -0.994 . . . . 1.08 108.316 171.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.483 HG12 ' HA2' ' A' ' 79' ' ' GLY . 8.0 mm -83.91 127.7 39.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.679 0.752 . . . . 1.07 112.093 -170.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.574 HG23 ' HA ' ' A' ' 75' ' ' SER . 34.5 p -126.32 147.42 49.73 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 114.487 -1.233 . . . . 1.06 109.29 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.09 132.25 52.35 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.64 110.65 174.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -21.13 66.22 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.266 0.839 . . . . 6.12 113.266 -176.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -90.08 -55.98 3.4 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.748 -0.381 . . . . 2.3 111.867 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.7 p -92.54 -18.65 22.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.949 0.351 . . . . 1.36 111.949 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 68.42 30.69 5.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.313 -0.858 . . . . 2.05 111.03 176.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -95.95 134.67 38.67 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.211 -0.45 . . . . 2.65 110.008 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.574 ' HA ' HG23 ' A' ' 68' ' ' THR . 38.1 t -59.56 137.27 58.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.244 0.545 . . . . 1.28 111.635 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -96.39 7.98 45.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.52 -0.764 . . . . 2.76 110.746 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.18 24.62 73.05 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.496 -0.859 . . . . 0.31 113.99 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.641 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 34.7 p90 -158.54 168.47 26.83 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 117.159 0.479 . . . . 1.11 109.942 175.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.483 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -152.8 -175.46 24.32 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.004 -1.093 . . . . 0.17 113.562 -173.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -132.52 139.87 48.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.421 0.629 . . . . 0.43 111.593 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.9 t -122.0 129.94 74.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 114.703 -1.135 . . . . 1.06 109.747 170.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -105.33 109.6 21.64 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.99 -1.115 . . . . 1.07 107.99 173.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.443 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 95.2 mmm -85.4 150.02 25.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.186 0.517 . . . . 1.06 110.919 -177.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 60' ' ' ASP . 20.1 ttmm -72.71 -18.36 61.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.298 -0.864 . . . . 2.07 110.696 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -146.8 150.95 36.31 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.213 0.53 . . . . 1.02 110.595 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.87 -38.97 83.74 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.258 -0.883 . . . . 3.61 112.402 -177.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.54 -44.39 94.34 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 121.013 -0.275 . . . . 1.1 110.677 -175.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -63.86 -39.73 94.89 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.579 -0.526 . . . . 1.04 109.579 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 37' ' ' ILE . . . -62.5 -42.05 99.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.588 -0.733 . . . . 0.96 111.091 178.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.06 -37.21 75.44 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 120.599 -0.44 . . . . 2.08 111.209 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -60.3 -36.98 79.12 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.373 -0.531 . . . . 3.84 109.83 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.479 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -63.17 -41.67 99.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.875 -0.602 . . . . 1.03 111.312 173.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 61.3 m -82.35 -10.73 58.96 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.933 0.345 . . . . 0.34 111.933 -175.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 94' ' ' LYS . 12.1 tptm -74.37 -28.15 60.99 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.97 0.415 . . . . 3.42 110.161 -174.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -112.07 89.95 12.73 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 107.692 -1.225 . . . . 1.12 107.692 168.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.448 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.1 Cg_endo -69.55 3.62 2.57 Favored 'Trans proline' 0 N--CA 1.466 -0.124 0 C-N-CA 123.046 2.497 . . . . 0.57 114.314 -170.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.673 ' HB3' ' HD2' ' A' ' 104' ' ' LYS . 7.5 m120 -131.34 62.92 67.8 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 113.012 0.745 . . . . 0.7 113.012 -176.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.27 147.3 29.19 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.293 1.995 . . . . 0.81 112.325 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 42.1 mm -83.45 116.87 28.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.93 0.395 . . . . 1.15 110.522 172.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.6 mt -125.84 120.61 57.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.949 -0.568 . . . . 1.16 110.194 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 36.2 t70 59.58 37.38 22.66 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 122.04 0.924 . . . . 1.33 110.414 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.86 5.08 68.63 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.553 -0.749 . . . . 0.59 112.994 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.494 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 24.9 tpt180 -115.82 143.66 45.1 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.903 0.383 . . . . 2.41 110.395 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.673 ' HD2' ' HB3' ' A' ' 97' ' ' ASN . 16.7 tppt? -77.92 119.51 21.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.126 -0.488 . . . . 2.43 109.896 175.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.476 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.05 158.17 17.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.06 0.457 . . . . 1.04 111.573 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 7.4 m-20 -114.39 115.57 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.476 -0.784 . . . . 1.53 109.061 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.429 HG23 HG11 ' A' ' 39' ' ' VAL . 90.7 t -118.27 132.46 68.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 112.428 0.529 . . . . 1.14 112.428 -176.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -152.08 156.25 39.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.577 -0.738 . . . . 0.68 110.079 174.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.8 mt -55.19 130.29 41.56 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.625 -0.509 . . . . 1.08 109.625 172.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.56 -35.9 77.18 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.097 0.777 . . . . 1.02 113.097 -169.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -69.41 -14.92 63.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.893 0.378 . . . . 1.01 110.889 -174.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.6 mt -75.21 -8.8 57.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.065 -0.516 . . . . 1.15 111.801 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -137.05 13.86 3.82 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.445 -0.883 . . . . 0.41 111.959 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.433 0 N-CA-C 109.981 -0.377 . . . . 1.18 109.981 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.625 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 1.2 p . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 111.844 0.312 . . . . 1.26 111.844 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.1 ttt -52.23 -54.66 28.29 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 112.345 0.498 . . . . 1.46 112.345 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.575 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 64.4 m-85 -106.28 -3.35 21.33 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.807 -0.357 . . . . 1.01 111.654 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.625 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 24.0 p -101.7 -23.07 14.29 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.735 -0.386 . . . . 1.06 111.854 -173.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.623 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 58.5 tttm -90.81 113.5 25.66 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.238 0.542 . . . . 1.86 110.308 -177.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 89' ' ' ALA . 71.2 mt -101.51 135.12 39.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.441 -0.8 . . . . 1.09 109.96 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -98.37 127.86 44.5 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.264 -0.643 . . . . 0.36 109.264 174.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.411 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.2 t -110.49 128.03 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 N-CA-C 109.323 -0.621 . . . . 1.06 109.323 177.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.21 161.78 21.34 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.93 -0.577 . . . . 0.24 112.055 -175.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.5 25.34 75.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.821 -0.704 . . . . 0.25 112.565 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.5 mt -79.57 138.71 54.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.826 0.346 . . . . 0.96 110.914 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.496 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 24.0 Cg_endo -64.46 139.54 65.19 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 121.872 1.715 . . . . 0.33 110.037 173.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -63.01 -16.53 60.14 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.123 0.416 . . . . 1.01 112.123 -172.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -76.54 -22.05 54.88 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 111.879 0.326 . . . . 3.21 111.879 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.496 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 55.1 m -57.58 141.77 46.89 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.212 0.449 . . . . 1.13 112.212 -175.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.8 p -112.88 162.03 16.29 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 120.945 0.403 . . . . 0.59 111.116 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.03 -36.02 62.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.69 -0.686 . . . . 0.55 110.109 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -61.81 -42.42 98.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.529 -0.759 . . . . 2.74 110.481 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.51 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 9.6 m -64.86 -37.85 89.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.992 -0.549 . . . . 1.16 111.415 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 mt -70.36 -43.87 69.29 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.346 -0.613 . . . . 1.09 109.346 177.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -56.04 -56.39 21.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.819 -1.082 . . . . 0.93 110.394 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.51 ' OE2' ' HA ' ' A' ' 50' ' ' THR . 7.7 pt-20 -61.36 -40.12 93.15 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.09 0.774 . . . . 2.68 113.09 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -69.98 -52.21 26.14 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.706 -0.398 . . . . 1.38 111.55 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -72.32 -28.72 63.25 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.552 0.945 . . . . 0.34 113.552 -176.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.467 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 12.7 pt-20 -65.93 -18.49 65.38 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.825 -0.35 . . . . 1.93 111.374 -175.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -68.54 -7.0 28.53 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.187 0.44 . . . . 2.59 112.187 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -91.73 -16.11 27.39 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.96 0.409 . . . . 0.36 110.861 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.5 -109.01 0.3 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.893 -0.67 . . . . 1.36 111.779 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -133.61 148.02 51.53 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.902 -0.407 . . . . 0.69 109.902 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.421 HG12 ' SD ' ' A' ' 83' ' ' MET . 33.0 mt -112.77 141.42 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.129 0.49 . . . . 1.06 111.656 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -79.99 -49.61 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.148 -0.933 . . . . 1.59 109.928 173.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -158.25 137.29 11.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.722 -1.127 . . . . 2.3 109.72 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.73 115.78 12.4 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.121 -0.232 . . . . 1.04 110.398 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.1 m -138.42 150.97 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.952 0.406 . . . . 1.16 112.044 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.76 133.91 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 107.622 -1.251 . . . . 1.08 107.622 170.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.771 HG12 ' HA2' ' A' ' 79' ' ' GLY . 26.0 mm -82.93 125.43 40.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-O 121.722 0.772 . . . . 1.07 111.212 -169.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.419 ' HB ' ' C ' ' A' ' 73' ' ' GLN . 53.9 p -120.0 149.19 42.55 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.582 -1.19 . . . . 1.06 108.816 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.27 126.11 23.53 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 110.028 -0.36 . . . . 0.64 110.028 173.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -57.94 -23.34 53.18 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.206 0.447 . . . . 6.12 112.206 -174.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -84.08 -55.21 4.33 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.516 -0.311 . . . . 2.3 111.231 -176.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.5 p -99.69 -14.4 18.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.578 0.584 . . . . 1.36 112.578 -174.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.419 ' C ' ' HB ' ' A' ' 68' ' ' THR . 36.9 mt-30 64.49 30.78 12.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.402 0.62 . . . . 2.05 110.702 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -91.34 134.99 34.13 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.442 -0.799 . . . . 2.65 109.606 175.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.402 ' HA ' HG23 ' A' ' 68' ' ' THR . 4.4 p -59.85 134.87 57.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.331 0.586 . . . . 1.28 111.713 -176.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.405 ' HD3' ' HH ' ' A' ' 78' ' ' TYR . 23.9 mtp85 -96.4 13.44 27.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.878 -0.601 . . . . 2.76 110.656 -178.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.87 16.66 79.29 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.526 -0.761 . . . . 0.31 114.463 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 44.3 p90 -151.76 166.82 30.18 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 117.373 0.586 . . . . 1.11 109.622 176.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.771 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -155.35 -178.62 29.77 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.416 -0.897 . . . . 0.17 113.037 -176.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.402 ' HD1' HD12 ' A' ' 67' ' ' ILE . 51.8 m-85 -134.19 140.3 46.41 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.649 0.738 . . . . 0.43 112.412 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.7 t -127.2 131.85 70.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 114.27 -1.332 . . . . 1.06 109.661 171.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 m -107.77 110.56 22.41 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.584 -1.265 . . . . 1.07 107.584 171.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.478 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 95.3 mmm -84.28 149.46 26.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.92 0.391 . . . . 1.06 110.103 -177.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -76.08 -18.35 59.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.647 -0.706 . . . . 2.07 110.57 -175.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.59 149.02 40.2 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.078 0.466 . . . . 1.02 111.084 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.575 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 14.8 ttm180 -60.9 -43.59 98.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.63 -0.714 . . . . 3.61 112.507 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.626 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -65.02 -40.97 95.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.477 -0.329 . . . . 1.1 110.875 -174.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.7 m -62.49 -43.97 97.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.29 0.567 . . . . 1.04 109.983 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.497 ' HA ' HD12 ' A' ' 37' ' ' ILE . . . -63.01 -43.66 98.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.17 -0.923 . . . . 0.96 111.154 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -70.24 -35.34 73.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.035 -0.529 . . . . 2.08 111.604 -176.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 27.7 mmm180 -59.15 -42.92 91.83 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.592 -0.522 . . . . 3.84 109.592 175.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.91 -36.57 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.549 -0.751 . . . . 1.03 111.081 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 63.0 m -81.28 -10.11 59.64 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.333 0.494 . . . . 0.34 112.333 -176.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -75.25 -28.69 59.94 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.63 -0.428 . . . . 3.42 110.183 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -108.32 85.45 2.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.687 -0.857 . . . . 1.12 108.687 171.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.5 -9.21 25.61 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 123.25 2.633 . . . . 0.57 114.051 -169.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.637 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 14.8 m120 -132.24 65.4 74.96 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 112.593 0.59 . . . . 0.7 112.593 -173.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -74.83 147.56 34.89 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.869 2.38 . . . . 0.81 111.7 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.9 mm -82.09 111.04 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.929 0.395 . . . . 1.15 110.018 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.2 mt -125.13 120.29 57.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 1.16 110.101 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.2 t0 60.68 34.92 19.92 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 122.087 0.946 . . . . 1.33 110.1 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 82.35 3.44 90.54 Favored Glycine 0 C--N 1.331 0.26 0 CA-C-N 115.077 -0.965 . . . . 0.59 113.495 176.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.429 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 14.7 tpt180 -125.74 137.08 53.8 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.903 0.351 . . . . 2.41 110.676 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.412 ' CG ' ' HB3' ' A' ' 97' ' ' ASN . 22.9 ttmm -74.08 124.66 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.476 -0.564 . . . . 2.43 109.476 173.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.637 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.88 159.42 16.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.159 -0.473 . . . . 1.04 111.076 -173.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -101.95 113.87 27.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.529 -0.915 . . . . 1.53 108.529 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 57.7 t -120.34 128.13 75.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.064 0.459 . . . . 1.14 111.99 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -155.18 154.34 32.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.556 -0.747 . . . . 0.68 109.999 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.3 mt -56.95 130.54 46.42 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.741 -0.466 . . . . 1.08 109.741 172.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.69 -29.24 69.2 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.332 0.864 . . . . 1.02 113.332 -167.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -67.21 -18.35 65.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.985 0.421 . . . . 1.01 111.212 -177.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.405 ' HA ' HD21 ' A' ' 112' ' ' LEU . 80.9 mt -66.94 -19.36 65.71 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 113.086 0.772 . . . . 1.15 113.086 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -147.34 14.81 1.46 Allowed Glycine 0 CA--C 1.52 0.372 0 C-N-CA 119.973 -1.108 . . . . 0.41 112.933 -173.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 120.878 0.37 . . . . 1.18 111.298 -174.907 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.584 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 11.0 p . . . . . 0 CA--C 1.528 0.118 0 N-CA-C 111.85 0.315 . . . . 1.26 111.85 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.3 ttt -52.11 -51.49 57.46 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.226 0.454 . . . . 1.46 112.226 -176.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.44 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 94.7 m-85 -102.86 3.34 36.49 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.791 0.293 . . . . 1.01 111.791 -175.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.584 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 17.0 p -112.94 -13.79 13.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.023 0.379 . . . . 1.06 112.023 -175.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -89.06 113.01 24.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.968 0.413 . . . . 1.86 110.382 -178.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 89' ' ' ALA . 60.8 mt -100.05 134.63 38.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.882 -0.599 . . . . 1.09 110.919 -178.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.447 ' HD2' ' CE2' ' A' ' 80' ' ' PHE . 60.8 t80 -101.32 124.6 47.27 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.661 -0.496 . . . . 0.36 109.661 172.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.509 HG11 HG23 ' A' ' 107' ' ' VAL . 7.5 t -109.0 126.84 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 109.348 -0.612 . . . . 1.06 109.348 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.29 158.98 21.28 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 116.113 -0.494 . . . . 0.24 112.414 -172.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.66 20.61 79.82 Favored Glycine 0 C--O 1.229 -0.176 0 C-N-CA 121.051 -0.595 . . . . 0.25 112.611 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.4 mt -74.9 133.19 76.24 Favored Pre-proline 0 C--N 1.323 -0.546 0 C-N-CA 122.293 0.237 . . . . 0.96 111.381 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 10.0 Cg_endo -56.82 139.01 88.0 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.946 1.764 . . . . 0.33 110.691 172.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -60.41 -28.24 68.1 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.798 0.666 . . . . 1.01 112.798 -169.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -83.85 -3.24 57.74 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.482 0.919 . . . . 3.21 113.482 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.46 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 35.7 m -59.46 140.92 55.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.275 0.489 . . . . 1.13 111.383 173.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.5 p -111.7 163.94 13.58 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.119 0.485 . . . . 0.59 110.943 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.47 -35.9 61.06 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.515 -0.766 . . . . 0.55 110.627 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -61.75 -42.4 98.92 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.851 -0.613 . . . . 2.74 110.938 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.6 m -65.68 -37.65 87.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.699 0.285 . . . . 1.16 110.961 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.75 -46.71 68.11 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.224 -0.591 . . . . 1.09 109.659 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -55.8 -55.96 26.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.376 -0.829 . . . . 0.93 111.221 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.695 ' HG3' ' N ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -62.22 -40.37 95.88 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.499 0.555 . . . . 2.68 112.499 -174.396 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.695 ' N ' ' HG3' ' A' ' 53' ' ' GLU . 25.0 t80 -70.44 -52.61 20.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.965 0.412 . . . . 1.38 110.915 -175.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.436 ' HB2' HD12 ' A' ' 61' ' ' ILE . 64.8 m-85 -71.8 -27.03 62.66 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.818 0.673 . . . . 0.34 112.818 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.43 -15.32 63.26 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.378 -0.529 . . . . 1.93 110.954 -176.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -67.29 -10.56 51.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.689 0.28 . . . . 2.59 111.061 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 40.5 m-85 -91.73 -19.36 22.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.458 -0.337 . . . . 0.36 110.87 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.87 -111.79 0.48 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.326 -0.94 . . . . 1.36 112.947 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -125.35 124.3 41.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.802 0.335 . . . . 0.69 111.321 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.436 HD12 ' HB2' ' A' ' 55' ' ' PHE . 34.8 mt -95.91 133.15 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.604 0.716 . . . . 1.06 111.231 173.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -82.37 -43.21 17.68 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.704 -1.135 . . . . 1.59 109.243 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -160.1 136.15 8.62 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.61 -0.723 . . . . 2.3 109.881 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.44 116.78 12.73 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.11 -0.368 . . . . 1.04 110.887 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.1 m -138.22 149.15 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 112.628 0.603 . . . . 1.16 112.628 -178.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.8 t -91.03 134.62 29.11 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.136 0 N-CA-C 108.5 -0.926 . . . . 1.08 108.5 169.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.751 HG12 ' HA2' ' A' ' 79' ' ' GLY . 41.2 mm -90.2 124.13 42.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.661 0.743 . . . . 1.07 111.338 -169.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.669 HG23 ' HA ' ' A' ' 75' ' ' SER . 48.4 p -124.99 154.41 41.28 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 114.862 -1.063 . . . . 1.06 108.665 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -57.42 134.03 55.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.064 0.459 . . . . 0.64 111.579 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -58.34 -26.62 63.32 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.813 -0.631 . . . . 6.12 112.549 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -96.28 -53.39 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.016 0.376 . . . . 2.3 112.016 -175.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.5 p -92.12 -21.18 20.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.158 0.504 . . . . 1.36 111.769 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.451 ' C ' ' HB ' ' A' ' 68' ' ' THR . 84.7 mt-30 68.24 21.77 8.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.974 -1.012 . . . . 2.05 110.467 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -75.04 129.83 38.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.689 -0.856 . . . . 2.65 108.689 175.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.669 ' HA ' HG23 ' A' ' 68' ' ' THR . 8.7 m -56.9 126.18 25.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.117 0.484 . . . . 1.28 110.364 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -86.59 10.68 14.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.332 0.587 . . . . 2.76 110.657 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.16 18.3 79.44 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.438 -0.801 . . . . 0.31 114.191 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.494 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 49.0 p90 -155.22 167.29 30.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 117.331 0.566 . . . . 1.11 110.294 177.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.751 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -150.11 -178.12 24.73 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.882 -0.675 . . . . 0.17 111.913 -177.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.447 ' CE2' ' HD2' ' A' ' 38' ' ' PHE . 51.2 m-85 -133.11 138.3 46.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.9 0.857 . . . . 0.43 112.084 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.433 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 24.6 t -125.42 121.48 60.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 114.23 -1.35 . . . . 1.06 109.142 174.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.4 m -107.04 110.87 23.1 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.451 -0.944 . . . . 1.07 108.451 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.641 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.8 mmm -84.55 141.0 31.02 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.233 0.539 . . . . 1.06 110.317 -177.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -68.02 -17.29 64.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.017 -0.992 . . . . 2.07 110.509 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.05 147.66 38.97 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.997 -0.547 . . . . 1.02 109.975 -178.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.44 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 48.4 ttt180 -67.16 -41.58 85.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.625 -0.261 . . . . 3.61 111.703 -176.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.654 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -64.01 -40.7 96.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.753 0.311 . . . . 1.1 110.312 -173.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.6 m -61.88 -43.79 98.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.704 -0.68 . . . . 1.04 109.707 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.641 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.35 -44.0 97.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.443 -0.799 . . . . 0.96 111.218 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -71.43 -33.63 69.58 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.785 -0.643 . . . . 2.08 111.585 -175.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.654 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 30.8 mmt180 -57.95 -43.85 86.65 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.441 -0.577 . . . . 3.84 109.441 173.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -61.38 -37.39 83.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.482 -0.781 . . . . 1.03 111.257 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 66.9 m -80.94 -10.24 59.74 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.143 0.423 . . . . 0.34 112.143 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -65.51 -34.64 78.75 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 122.22 -0.3 . . . . 3.42 110.61 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -110.07 92.78 13.69 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 108.72 -0.844 . . . . 1.12 108.72 171.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.442 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.1 Cg_endo -69.85 -2.65 10.61 Favored 'Trans proline' 0 CA--C 1.521 -0.139 0 C-N-CA 122.742 2.295 . . . . 0.57 113.419 -174.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.668 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 8.9 m120 -130.88 60.0 50.06 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 112.395 0.516 . . . . 0.7 112.395 -177.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 2.9 Cg_exo -73.78 147.53 39.81 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.456 2.104 . . . . 0.81 111.796 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.1 mm -82.17 110.13 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.486 -0.561 . . . . 1.15 109.486 174.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.2 mt -123.32 123.78 68.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.854 -0.612 . . . . 1.16 110.029 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.4 t0 59.23 36.75 23.84 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.886 0.85 . . . . 1.33 109.996 176.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.16 11.53 84.82 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.138 -0.937 . . . . 0.59 113.928 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -134.97 141.44 46.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.029 0.415 . . . . 2.41 111.613 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.534 ' HE3' ' HB3' ' A' ' 97' ' ' ASN . 2.7 ttmp? -70.42 124.41 24.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 2.43 110.072 174.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.668 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -108.23 159.9 16.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.87 -0.605 . . . . 1.04 110.645 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 4.7 m-20 -111.12 115.18 28.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.375 -0.602 . . . . 1.53 109.375 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.509 HG23 HG11 ' A' ' 39' ' ' VAL . 98.0 t -120.54 136.47 57.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 112.265 0.469 . . . . 1.14 112.265 -175.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -153.34 155.55 36.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.583 -0.735 . . . . 0.68 109.574 173.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.4 mt -55.77 127.54 30.6 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.897 0.38 . . . . 1.08 109.989 173.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.16 71.08 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.551 0.945 . . . . 1.02 113.551 -167.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -69.2 -16.93 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.991 0.424 . . . . 1.01 111.134 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 mt -79.88 -6.59 57.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.083 -0.508 . . . . 1.15 111.633 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -136.86 13.93 3.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.211 -0.995 . . . . 0.41 112.422 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.415 0 O-C-N 122.809 -0.23 . . . . 1.18 110.434 179.134 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.599 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 112.767 0.654 . . . . 1.26 112.767 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 50.0 mtp -53.37 -52.27 59.81 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.211 0.819 . . . . 1.46 113.211 -177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.438 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 77.0 m-85 -106.74 -1.36 22.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.536 0.607 . . . . 1.01 111.301 -177.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.599 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 32.5 p -102.98 -25.5 13.43 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.138 0.421 . . . . 1.06 112.138 -175.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 62.0 tttm -85.94 113.43 22.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.968 0.413 . . . . 1.86 110.421 -176.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 89' ' ' ALA . 63.0 mt -101.5 134.94 40.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.844 -0.616 . . . . 1.09 111.332 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.402 ' HD2' ' CZ ' ' A' ' 80' ' ' PHE . 74.9 t80 -101.04 127.78 47.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.987 -0.552 . . . . 0.36 109.563 174.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.446 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.6 t -114.67 130.51 68.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 110.169 -0.308 . . . . 1.06 110.169 178.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.31 163.05 21.24 Favored Glycine 0 C--O 1.227 -0.327 0 CA-C-N 116.005 -0.543 . . . . 0.24 111.945 -174.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.65 10.37 84.78 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.805 -0.712 . . . . 0.25 112.597 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.8 mt -69.75 132.62 88.83 Favored Pre-proline 0 C--N 1.327 -0.401 0 C-N-CA 122.749 0.42 . . . . 0.96 111.563 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.618 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 10.7 Cg_endo -57.07 139.88 91.16 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.215 1.943 . . . . 0.33 110.213 173.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -62.31 -30.66 71.31 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.288 0.477 . . . . 1.01 112.288 -170.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -77.72 -6.38 53.77 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.433 0.531 . . . . 3.21 112.433 -177.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.436 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 24.6 m -55.8 141.68 37.7 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.704 0.288 . . . . 1.13 111.057 177.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.0 p -111.09 161.34 16.02 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.189 0.519 . . . . 0.59 110.717 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.428 ' OD1' ' HA ' ' A' ' 65' ' ' VAL . 3.1 m-20 -53.51 -33.82 55.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.378 -0.828 . . . . 0.55 110.204 178.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.576 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 27.4 ttpp -61.98 -43.7 98.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.438 -0.801 . . . . 2.74 110.894 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -63.35 -39.04 93.44 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.96 0.409 . . . . 1.16 110.923 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.2 mt -70.45 -43.91 68.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.245 -0.434 . . . . 1.09 110.276 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.456 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 47.7 t-80 -54.3 -55.96 23.16 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.315 -0.857 . . . . 0.93 110.851 176.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 35.3 mm-40 -60.54 -44.29 96.25 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.418 0.525 . . . . 2.68 112.418 -174.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -65.15 -52.64 53.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.934 0.397 . . . . 1.38 111.394 -172.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.493 ' HB2' HD13 ' A' ' 61' ' ' ILE . 84.9 m-85 -72.52 -24.21 61.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.972 -0.558 . . . . 0.34 112.125 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' ' 52' ' ' HIS . 4.2 mm-40 -60.02 -26.58 66.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.203 0.525 . . . . 1.93 111.284 -177.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -72.47 -9.94 59.17 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.189 -0.46 . . . . 2.59 111.617 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.401 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 44.8 m-85 -92.0 -23.48 19.52 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.157 0.503 . . . . 0.36 109.998 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 158.14 -170.91 35.0 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.693 -0.685 . . . . 1.36 111.77 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.498 ' HB3' ' HE3' ' A' ' 84' ' ' LYS . 7.0 m-20 -68.36 128.06 35.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.043 0.449 . . . . 0.69 111.761 -176.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.493 HD13 ' HB2' ' A' ' 55' ' ' PHE . 47.9 mt -98.41 134.96 35.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 115.773 -0.649 . . . . 1.06 110.326 170.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -83.83 -43.93 14.87 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.411 -0.588 . . . . 1.59 109.411 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -151.12 137.4 18.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.584 -0.735 . . . . 2.3 109.872 178.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.489 ' HB3' HG22 ' A' ' 61' ' ' ILE . . . -135.66 115.06 12.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.646 -0.501 . . . . 1.04 109.646 177.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.428 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 17.6 m -138.17 148.16 25.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.027 0.442 . . . . 1.16 112.131 -175.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.5 t -90.45 133.95 30.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 108.24 -1.022 . . . . 1.08 108.24 169.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.884 HG12 ' HA2' ' A' ' 79' ' ' GLY . 39.4 mm -86.01 124.05 39.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.578 0.704 . . . . 1.07 111.042 -169.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.54 HG23 ' HA ' ' A' ' 75' ' ' SER . 20.2 p -122.06 144.94 48.61 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.948 -1.024 . . . . 1.06 109.005 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.49 135.71 56.63 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.902 0.382 . . . . 0.64 111.336 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -60.29 -29.37 68.78 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 112.993 0.738 . . . . 6.12 112.993 -175.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -94.23 -22.6 18.31 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.808 -0.558 . . . . 2.3 112.393 -172.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.5 p -124.17 -23.64 4.5 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.545 0.688 . . . . 1.36 111.133 -170.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 68.43 25.13 6.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 113.818 -1.537 . . . . 2.05 110.01 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 68' ' ' THR . 46.9 mmtm -86.04 150.41 24.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.616 -0.72 . . . . 2.65 109.672 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.54 ' HA ' HG23 ' A' ' 68' ' ' THR . 19.8 m -78.6 121.8 25.11 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.849 -0.426 . . . . 1.28 109.849 -170.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.627 ' HD3' HG23 ' A' ' 67' ' ' ILE . 45.1 mtp85 -86.68 12.06 11.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.871 0.322 . . . . 2.76 111.871 -172.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.71 13.37 83.09 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.95 -0.643 . . . . 0.31 114.592 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 42.5 p90 -154.88 168.26 27.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 117.171 0.486 . . . . 1.11 110.135 177.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.884 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -152.12 -178.76 27.14 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.722 -0.751 . . . . 0.17 112.197 -176.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.402 ' CZ ' ' HD2' ' A' ' 38' ' ' PHE . 54.3 m-85 -133.72 139.83 46.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.905 0.86 . . . . 0.43 112.067 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.427 HG23 ' CD1' ' A' ' 55' ' ' PHE . 23.5 t -123.61 122.1 64.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 113.868 -1.515 . . . . 1.06 109.068 172.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.2 m -105.36 110.64 23.07 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 107.951 -1.129 . . . . 1.07 107.951 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.636 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 91.2 mmm -83.93 143.02 30.12 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.262 0.553 . . . . 1.06 110.517 -175.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.498 ' HE3' ' HB3' ' A' ' 60' ' ' ASP . 26.8 ttmt -69.98 -18.42 63.34 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.839 -1.073 . . . . 2.07 110.159 -178.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -141.55 148.38 39.24 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.148 0.499 . . . . 1.02 111.552 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.438 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 74.3 ttt180 -60.98 -43.12 99.27 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.334 -0.848 . . . . 3.61 112.914 -178.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -66.69 -41.78 87.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.875 0.369 . . . . 1.1 110.926 -173.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.9 m -62.86 -41.33 99.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.058 -0.519 . . . . 1.04 110.1 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.636 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.83 -41.59 99.39 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.405 -0.816 . . . . 0.96 111.057 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.08 -39.79 78.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.052 -0.522 . . . . 2.08 110.935 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 31.0 mmm180 -58.53 -41.84 86.43 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.064 0.459 . . . . 3.84 109.952 178.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.401 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -60.09 -40.97 91.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.358 -0.837 . . . . 1.03 111.551 176.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 62.3 m -82.19 -10.17 59.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.751 0.649 . . . . 0.34 112.751 -175.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -64.94 -39.22 93.17 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 122.236 -0.29 . . . . 3.42 110.618 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -107.84 98.14 23.92 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 108.416 -0.957 . . . . 1.12 108.416 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.41 -5.48 16.1 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 123.306 2.671 . . . . 0.57 114.614 -169.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.569 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 9.3 m120 -134.95 66.37 68.04 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 112.409 0.522 . . . . 0.7 112.409 -175.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.0 145.08 35.13 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.956 1.771 . . . . 0.81 111.414 174.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.8 mm -85.39 111.74 21.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.895 -0.409 . . . . 1.15 109.895 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.3 mt -120.0 121.02 64.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.784 -0.643 . . . . 1.16 109.865 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.5 t70 59.66 34.76 22.25 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.884 0.85 . . . . 1.33 109.979 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.38 5.93 78.86 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.474 -0.785 . . . . 0.59 112.711 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.618 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 30.7 tpt180 -114.93 139.99 49.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.834 0.349 . . . . 2.41 111.031 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.465 ' HZ3' ' HB2' ' A' ' 104' ' ' LYS . 3.1 ttmp? -74.83 120.13 19.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.616 -0.513 . . . . 2.43 109.616 173.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.569 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.57 157.84 17.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.649 0.262 . . . . 1.04 110.64 177.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -105.35 114.2 28.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.959 -0.756 . . . . 1.53 108.959 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.422 HG21 HG11 ' A' ' 39' ' ' VAL . 47.8 t -118.03 128.15 75.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.935 0.398 . . . . 1.14 111.86 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -157.18 156.43 32.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.56 -0.745 . . . . 0.68 109.898 175.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.1 mt -55.95 127.41 30.24 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.778 -0.453 . . . . 1.08 109.778 173.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.92 -28.2 69.37 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.264 0.839 . . . . 1.02 113.264 -167.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -14.93 63.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.783 0.325 . . . . 1.01 111.304 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.404 HD21 ' HA ' ' A' ' 112' ' ' LEU . 88.2 mt -72.41 -7.94 52.37 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.474 0.546 . . . . 1.15 112.474 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.14 14.68 1.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.23 -0.986 . . . . 0.41 112.562 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 120.946 0.403 . . . . 1.18 111.404 -178.337 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.653 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 25.8 p . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 112.259 0.466 . . . . 1.26 112.259 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 17.6 mtp -54.53 -51.85 63.86 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.889 0.7 . . . . 1.46 112.889 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.95 -3.57 21.59 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 118.12 0.418 . . . . 1.01 111.363 -174.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.45 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 13.9 p -106.01 -19.62 13.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.578 -0.283 . . . . 1.06 111.642 -174.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.653 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 60.0 tttm -90.88 113.17 25.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.372 0.606 . . . . 1.86 109.974 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.545 HD12 ' HA ' ' A' ' 89' ' ' ALA . 61.3 mt -98.08 131.52 44.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.39 -0.823 . . . . 1.09 110.1 -178.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.423 ' HD2' ' CE2' ' A' ' 80' ' ' PHE . 59.5 t80 -101.97 122.27 43.74 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.259 -0.645 . . . . 0.36 109.259 173.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.659 HG11 HG23 ' A' ' 107' ' ' VAL . 4.3 t -106.33 130.33 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 109.14 -0.689 . . . . 1.06 109.14 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.45 148.02 17.0 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 121.004 -0.617 . . . . 0.24 111.991 -173.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.1 16.28 76.98 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.844 -0.693 . . . . 0.25 112.216 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.49 129.8 94.14 Favored Pre-proline 0 CA--C 1.513 -0.472 0 CA-C-O 120.787 0.327 . . . . 0.96 110.929 178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 18.5 Cg_endo -59.07 138.91 88.18 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 122.063 1.842 . . . . 0.33 109.784 174.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -58.88 -20.88 55.29 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.694 0.627 . . . . 1.01 112.694 -171.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 21.9 p80 -77.86 -15.26 59.18 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.801 0.667 . . . . 3.21 112.801 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.578 ' HA ' ' OD2' ' A' ' 101' ' ' ASP . 98.6 m -55.09 138.85 43.32 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.156 0.428 . . . . 1.13 112.156 177.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.1 p -117.18 165.78 13.02 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.113 0.482 . . . . 0.59 110.938 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.519 ' OD1' ' HA ' ' A' ' 65' ' ' VAL . 5.9 m-20 -53.28 -35.26 59.89 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.739 -0.664 . . . . 0.55 110.716 176.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.649 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 38.1 ttpt -66.67 -36.68 83.11 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.804 -0.635 . . . . 2.74 110.546 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.427 HG22 ' OD2' ' A' ' 101' ' ' ASP . 23.0 m -62.05 -40.7 96.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.084 0.468 . . . . 1.16 110.248 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.3 mt -70.26 -40.38 74.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.948 -0.569 . . . . 1.09 109.864 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 51.2 t-80 -56.63 -57.32 12.91 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.355 -0.839 . . . . 0.93 111.117 176.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.649 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 15.9 mm-40 -60.26 -46.27 90.41 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.337 0.495 . . . . 2.68 112.337 -176.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.483 ' HA ' HE21 ' A' ' 57' ' ' GLN . 83.7 t80 -70.59 -54.72 10.93 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.308 -0.557 . . . . 1.38 111.677 -172.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.463 ' HB2' HD12 ' A' ' 61' ' ' ILE . 65.4 m-85 -71.33 -28.27 63.97 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.59 0.959 . . . . 0.34 113.59 -174.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 52' ' ' HIS . 10.1 pt-20 -72.57 -12.56 61.11 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 119.471 -0.891 . . . . 1.93 111.189 -175.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.483 HE21 ' HA ' ' A' ' 54' ' ' TYR . 48.3 mt-30 -67.7 -8.06 32.13 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.774 0.321 . . . . 2.59 110.933 176.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.428 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 45.3 m-85 -93.43 -16.68 24.31 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.952 0.406 . . . . 0.36 111.028 177.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.96 -109.99 0.38 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.875 -0.679 . . . . 1.36 112.35 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -126.24 132.71 51.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.616 0.246 . . . . 0.69 111.249 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.463 HD12 ' HB2' ' A' ' 55' ' ' PHE . 37.4 mt -103.39 135.05 42.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.806 0.336 . . . . 1.06 110.656 171.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -86.05 -38.36 17.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.756 -0.656 . . . . 1.59 110.584 172.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -155.46 134.59 12.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.803 -0.635 . . . . 2.3 109.783 -174.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.41 116.43 13.31 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.247 -0.279 . . . . 1.04 110.247 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.519 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 25.4 m -136.31 141.93 39.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.863 0.363 . . . . 1.16 111.525 -175.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.5 t -96.28 134.26 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.875 -1.157 . . . . 1.08 107.875 169.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.919 HG12 ' HA2' ' A' ' 79' ' ' GLY . 31.0 mm -86.39 124.37 40.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.724 0.773 . . . . 1.07 111.156 -169.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.576 HG23 ' HA ' ' A' ' 75' ' ' SER . 41.4 p -120.92 146.21 46.87 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.622 -1.172 . . . . 1.06 108.633 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -56.66 130.89 47.26 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.711 -0.396 . . . . 0.64 111.112 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -16.24 61.59 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.286 1.217 . . . . 6.12 114.286 -174.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -92.12 -52.07 4.88 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.579 0.627 . . . . 2.3 111.625 178.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.0 p -90.22 -21.12 22.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.35 -0.387 . . . . 1.36 112.027 -174.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 66.55 30.76 8.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.297 -0.865 . . . . 2.05 110.144 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -104.42 141.19 36.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.721 -0.672 . . . . 2.65 109.54 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.576 ' HA ' HG23 ' A' ' 68' ' ' THR . 3.4 p -60.44 133.97 56.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.205 0.526 . . . . 1.28 112.018 -174.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.828 ' HD3' ' HH ' ' A' ' 78' ' ' TYR . 32.0 mtt180 -94.66 13.28 24.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.588 -0.733 . . . . 2.76 111.571 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.02 14.01 80.59 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 115.753 -0.658 . . . . 0.31 114.368 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.828 ' HH ' ' HD3' ' A' ' 76' ' ' ARG . 34.6 p90 -151.31 168.26 25.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 117.52 0.66 . . . . 1.11 110.34 177.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.919 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -160.05 -176.89 32.63 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.712 -0.756 . . . . 0.17 113.01 -176.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.423 ' CE2' ' HD2' ' A' ' 38' ' ' PHE . 50.0 m-85 -135.9 139.37 43.27 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.753 0.787 . . . . 0.43 112.208 -176.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 64.6 t -124.28 133.37 69.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.387 -1.279 . . . . 1.06 109.823 171.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -107.63 107.78 18.75 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 107.865 -1.161 . . . . 1.07 107.865 171.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.584 ' SD ' ' HA ' ' A' ' 89' ' ' ALA . 18.7 mtp -88.17 149.53 23.83 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.294 -0.562 . . . . 1.06 109.85 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -71.75 -17.54 62.19 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.299 -0.864 . . . . 2.07 111.24 -173.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -143.46 149.74 38.01 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.1 0.476 . . . . 1.02 110.605 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -60.51 -41.58 94.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.484 -0.78 . . . . 3.61 111.788 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.672 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -63.46 -41.54 98.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.758 0.313 . . . . 1.1 110.967 -175.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 m -63.88 -44.32 93.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.97 0.414 . . . . 1.04 109.915 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.584 ' HA ' ' SD ' ' A' ' 83' ' ' MET . . . -63.58 -42.66 98.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.521 -0.763 . . . . 0.96 111.015 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -69.45 -39.12 77.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.817 -0.629 . . . . 2.08 111.602 -175.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 21.6 mmm180 -64.48 -37.66 88.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.47 -0.492 . . . . 3.84 109.679 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.428 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -62.87 -39.45 94.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.79 -0.641 . . . . 1.03 110.886 175.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 67.9 m -83.09 -9.63 59.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.34 112.009 -177.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -64.67 -31.37 72.56 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 121.109 -0.236 . . . . 3.42 111.442 -172.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -113.32 103.36 55.52 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 107.683 -1.228 . . . . 1.12 107.683 170.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.478 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 54.1 Cg_endo -68.9 7.25 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.865 2.377 . . . . 0.57 114.02 -171.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.736 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 9.6 m120 -132.79 60.24 48.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 112.763 0.653 . . . . 0.7 112.763 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.13 149.28 35.96 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.375 2.05 . . . . 0.81 112.342 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.2 mm -81.68 111.62 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.442 -0.344 . . . . 1.15 110.42 174.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.4 mt -125.51 121.46 60.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.377 -0.374 . . . . 1.16 110.218 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.578 ' OD2' ' HA ' ' A' ' 46' ' ' THR . 0.2 OUTLIER 58.54 40.84 23.36 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.804 -0.635 . . . . 1.33 111.202 179.285 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.88 13.58 80.65 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 115.669 -0.696 . . . . 0.59 113.81 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -133.45 133.94 42.92 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.513 -0.404 . . . . 2.41 110.563 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -73.1 123.48 23.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.309 -0.626 . . . . 2.43 109.309 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.736 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -108.6 161.28 15.22 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.828 -0.624 . . . . 1.04 111.148 -173.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.478 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 5.5 m-20 -106.05 113.48 27.04 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.752 -0.833 . . . . 1.53 108.752 176.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.659 HG23 HG11 ' A' ' 39' ' ' VAL . 43.8 t -125.41 142.37 42.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.183 0.516 . . . . 1.14 112.375 -173.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.445 ' C ' HD21 ' A' ' 108' ' ' ASN . 0.3 OUTLIER -157.55 158.15 35.11 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.376 -0.829 . . . . 0.68 109.785 173.341 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.15 127.31 28.59 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 109.485 -0.561 . . . . 1.08 109.485 173.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.77 -31.01 66.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.873 1.064 . . . . 1.02 113.873 -167.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -68.27 -18.82 64.63 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.858 -0.337 . . . . 1.01 111.643 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.1 mt -73.98 -8.16 55.09 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.702 0.63 . . . . 1.15 112.702 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -150.95 13.38 0.85 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.452 -0.88 . . . . 0.41 111.95 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.007 0.432 . . . . 1.18 111.304 -178.436 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.919 HG23 ' HB2' ' A' ' 36' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 112.807 0.669 . . . . 1.26 112.807 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.6 mtp -54.25 -50.35 67.4 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 113.599 0.963 . . . . 1.46 113.599 -173.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -104.27 -0.82 27.86 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.878 -0.513 . . . . 1.01 110.635 -172.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.0 p -107.67 -17.51 14.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.153 -0.476 . . . . 1.06 111.345 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.919 ' HB2' HG23 ' A' ' 32' ' ' THR . 86.8 tttt -91.4 113.77 26.12 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.281 0.562 . . . . 1.86 110.761 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 89' ' ' ALA . 70.5 mt -101.24 134.48 41.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.4 -0.818 . . . . 1.09 110.138 178.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -98.02 125.08 42.81 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.104 -0.702 . . . . 0.36 109.104 174.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 t -106.34 125.84 62.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.714 -0.476 . . . . 1.06 109.714 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.69 150.19 17.79 Favored Glycine 0 N--CA 1.445 -0.719 0 CA-C-N 115.668 -0.696 . . . . 0.24 111.814 -174.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.62 11.8 65.52 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.401 -0.904 . . . . 0.25 112.522 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.3 mt -73.24 138.03 78.59 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-O 120.98 0.419 . . . . 0.96 111.909 -175.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.473 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 36.9 Cg_endo -69.24 147.75 66.92 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.102 1.868 . . . . 0.33 110.271 172.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -64.48 -16.67 62.88 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.814 0.302 . . . . 1.01 111.814 -174.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -77.75 -21.21 52.12 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.884 0.327 . . . . 3.21 111.884 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.3 m -56.06 134.0 52.29 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 120.836 0.351 . . . . 1.13 111.535 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.7 p -111.31 163.67 13.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.59 110.184 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.57 -35.86 61.26 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.923 -0.581 . . . . 0.55 110.526 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -67.3 -37.57 83.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.713 -0.676 . . . . 2.74 110.623 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.9 m -63.71 -41.57 98.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 1.16 111.06 -178.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.6 mt -70.49 -42.98 70.65 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.381 -0.6 . . . . 1.09 109.381 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -56.19 -56.01 26.15 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.227 -0.897 . . . . 0.93 110.204 176.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.657 ' HA ' ' OE2' ' A' ' 56' ' ' GLU . 2.0 pt-20 -61.37 -37.32 82.95 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.617 0.599 . . . . 2.68 112.617 -176.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -70.9 -53.92 13.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.069 0.461 . . . . 1.38 110.91 -177.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.412 ' HB2' HD12 ' A' ' 61' ' ' ILE . 68.8 m-85 -73.04 -27.91 62.03 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.021 0.748 . . . . 0.34 113.021 -177.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.657 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 11.8 pt-20 -64.51 -18.32 64.7 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.75 -0.38 . . . . 1.93 111.091 -175.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -66.96 -8.09 27.06 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.97 0.359 . . . . 2.59 111.97 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -92.11 -9.15 43.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.511 0.196 . . . . 0.36 111.164 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.22 -104.82 0.26 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.71 -0.757 . . . . 1.36 112.508 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.601 ' HB3' ' HE3' ' A' ' 84' ' ' LYS . 5.0 m-20 -130.08 139.42 50.95 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.819 0.342 . . . . 0.69 111.34 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.454 HG12 ' SD ' ' A' ' 83' ' ' MET . 43.4 mt -111.77 136.64 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.055 -0.52 . . . . 1.06 110.547 174.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -80.66 -43.99 19.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.281 0.563 . . . . 1.59 109.63 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -160.39 140.14 11.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 114.924 -1.034 . . . . 2.3 109.89 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.427 ' HB3' HG22 ' A' ' 61' ' ' ILE . . . -136.39 118.13 15.06 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.182 -0.303 . . . . 1.04 110.182 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.8 m -136.59 146.14 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.119 0.485 . . . . 1.16 111.904 -175.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.4 t -94.25 134.09 32.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 107.352 -1.351 . . . . 1.08 107.352 168.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.807 HG12 ' HA2' ' A' ' 79' ' ' GLY . 26.8 mm -85.29 126.26 40.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.57 0.7 . . . . 1.07 110.926 -168.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.498 HG23 ' HA ' ' A' ' 75' ' ' SER . 41.2 p -120.91 150.11 41.58 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 114.788 -1.096 . . . . 1.06 108.431 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -55.89 129.4 39.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.886 0.374 . . . . 0.64 111.403 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -58.93 -21.8 58.71 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.832 0.679 . . . . 6.12 112.832 -175.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -95.19 -54.93 3.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.796 0.332 . . . . 2.3 111.685 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.4 p -92.84 -18.6 22.65 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.175 0.435 . . . . 1.36 112.175 -173.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.402 ' C ' ' HB ' ' A' ' 68' ' ' THR . 25.1 mt-30 68.03 26.38 7.32 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.224 -0.898 . . . . 2.05 110.892 178.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -86.09 134.12 33.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.332 -0.849 . . . . 2.65 109.621 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.498 ' HA ' HG23 ' A' ' 68' ' ' THR . 6.6 m -58.85 127.92 34.62 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.143 0.277 . . . . 1.28 110.932 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -92.35 13.25 19.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.328 0.585 . . . . 2.76 111.28 -176.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.87 11.75 81.05 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.662 -0.78 . . . . 0.31 114.714 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -146.9 168.08 22.35 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 117.334 0.567 . . . . 1.11 109.631 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.807 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -156.83 -179.07 31.51 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.239 -0.982 . . . . 0.17 112.746 -176.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.407 ' HD1' HD12 ' A' ' 67' ' ' ILE . 60.3 m-85 -132.49 138.16 47.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.745 0.784 . . . . 0.43 111.703 -179.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.3 t -121.28 124.38 71.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 114.657 -1.156 . . . . 1.06 109.423 172.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.4 m -106.8 109.71 21.68 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 107.672 -1.233 . . . . 1.07 107.672 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.506 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.8 mmm -83.43 146.5 28.39 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.456 -0.572 . . . . 1.06 109.456 -176.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.601 ' HE3' ' HB3' ' A' ' 60' ' ' ASP . 36.8 ttmt -70.55 -18.38 62.92 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.23 -0.895 . . . . 2.07 109.867 -177.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.86 146.57 37.7 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.398 0.618 . . . . 1.02 111.182 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -64.03 -43.21 96.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.1 -0.954 . . . . 3.61 113.065 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -63.28 -40.24 96.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.993 0.425 . . . . 1.1 110.626 -177.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.3 m -62.47 -43.2 99.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.672 -0.695 . . . . 1.04 110.186 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.534 ' HA ' HD12 ' A' ' 37' ' ' ILE . . . -63.65 -39.22 93.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.353 -0.84 . . . . 0.96 111.266 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -67.98 -39.49 83.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.042 -0.526 . . . . 2.08 110.74 -177.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 18.8 mmt180 -60.53 -39.19 86.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.949 0.404 . . . . 3.84 110.299 179.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.24 99.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.696 -0.684 . . . . 1.03 111.406 175.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 57.6 m -81.23 -14.84 57.07 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.179 0.437 . . . . 0.34 112.179 -175.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -65.87 -35.28 80.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.7 0.286 . . . . 3.42 110.557 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -107.92 96.45 17.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.601 -0.888 . . . . 1.12 108.601 172.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.481 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.4 Cg_endo -69.92 -4.08 13.42 Favored 'Trans proline' 0 N--CA 1.467 -0.071 0 C-N-CA 123.086 2.524 . . . . 0.57 114.823 -168.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.449 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 13.4 m120 -126.64 62.53 49.8 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.671 0.619 . . . . 0.7 112.671 -175.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -75.46 142.35 26.41 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.103 1.869 . . . . 0.81 112.016 175.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 49.8 mm -84.76 111.05 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.445 -0.343 . . . . 1.15 110.109 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.6 mt -122.79 121.57 63.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.058 -0.519 . . . . 1.16 110.1 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.9 t70 60.62 32.67 20.39 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.835 0.826 . . . . 1.33 109.825 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.08 4.21 88.69 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 115.414 -0.812 . . . . 0.59 112.913 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.473 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 20.3 tpt180 -116.51 138.69 51.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.604 0.24 . . . . 2.41 110.954 -178.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -83.24 120.09 25.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.166 0.508 . . . . 2.43 110.074 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.449 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.18 161.2 14.98 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.174 -0.921 . . . . 1.04 111.456 -175.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 59.4 m-20 -107.17 115.46 30.21 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.269 -1.011 . . . . 1.53 108.269 175.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.8 t -113.7 126.18 71.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.003 0.43 . . . . 1.14 112.009 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -154.57 155.23 34.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.529 -0.759 . . . . 0.68 109.818 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.8 mt -55.31 130.47 42.51 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 110.06 -0.348 . . . . 1.08 110.06 174.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.07 -33.7 73.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.677 0.621 . . . . 1.02 112.677 -169.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -70.38 -16.4 62.96 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.849 -0.34 . . . . 1.01 110.976 -175.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.89 -17.25 63.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.182 -0.463 . . . . 1.15 111.94 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -139.86 14.79 3.1 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 111.104 -0.798 . . . . 0.41 111.104 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.363 -0.419 . . . . 1.18 110.521 -176.842 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.572 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 37.1 p . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 112.477 0.547 . . . . 1.26 112.477 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 27.4 ttt -52.98 -52.86 56.84 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.79 0.663 . . . . 1.46 112.79 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.515 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 99.0 m-85 -102.74 -0.18 31.98 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.7 -0.4 . . . . 1.01 111.412 -176.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.464 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 40.8 p -109.85 -21.67 12.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.104 0.409 . . . . 1.06 112.104 -174.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.572 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 86.4 tttt -85.27 113.69 21.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.162 0.506 . . . . 1.86 110.523 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 89' ' ' ALA . 67.4 mt -103.36 134.75 43.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.473 -0.785 . . . . 1.09 110.654 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -99.41 126.29 45.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.57 -0.53 . . . . 0.36 109.57 174.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.488 HG11 HG23 ' A' ' 107' ' ' VAL . 5.0 t -109.41 130.32 62.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.253 -0.431 . . . . 1.06 109.985 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.41 159.35 21.39 Favored Glycine 0 C--O 1.226 -0.406 0 CA-C-N 116.047 -0.524 . . . . 0.24 112.131 -174.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.2 11.39 84.95 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.964 -0.636 . . . . 0.25 112.761 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.1 mt -68.29 135.56 91.19 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 120.69 0.281 . . . . 0.96 111.158 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.522 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 20.5 Cg_endo -63.1 148.19 93.53 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 121.768 1.646 . . . . 0.33 110.312 174.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -65.66 -26.23 67.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.785 0.326 . . . . 1.01 111.184 -171.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 9.6 p80 -78.69 -12.48 60.02 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.867 0.692 . . . . 3.21 112.867 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.495 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 95.0 m -56.33 139.23 49.09 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.074 0.397 . . . . 1.13 111.864 175.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.2 p -111.75 163.0 14.64 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 116.332 -0.394 . . . . 0.59 111.132 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.51 -36.22 61.5 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.556 -0.747 . . . . 0.55 110.712 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -67.34 -35.74 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.871 -0.604 . . . . 2.74 110.876 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.525 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 8.3 m -65.81 -39.09 90.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 1.16 110.989 178.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.8 mt -70.57 -41.32 72.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.411 0.624 . . . . 1.09 109.401 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -54.9 -55.42 30.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.379 -1.282 . . . . 0.93 110.119 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 50' ' ' THR . 8.9 pt-20 -59.57 -42.53 92.7 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.683 0.623 . . . . 2.68 112.683 -175.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.458 ' OH ' ' HB3' ' A' ' 98' ' ' PRO . 64.1 t80 -70.19 -53.17 18.28 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.68 -0.408 . . . . 1.38 111.562 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.415 ' CB ' HD12 ' A' ' 61' ' ' ILE . 75.6 m-85 -72.38 -28.08 62.78 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.48 0.919 . . . . 0.34 113.48 -175.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.33 -17.92 64.95 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.461 -0.496 . . . . 1.93 110.824 -175.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -67.02 -9.33 37.89 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.345 -0.389 . . . . 2.59 111.741 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -91.69 -11.6 36.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.809 0.337 . . . . 0.36 110.982 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 157.62 -105.53 0.27 Allowed Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.481 -0.866 . . . . 1.36 112.838 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -126.49 132.16 51.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.618 0.246 . . . . 0.69 111.204 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.415 HD12 ' CB ' ' A' ' 55' ' ' PHE . 34.7 mt -103.18 139.5 23.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.993 0.425 . . . . 1.06 110.936 172.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -81.63 -47.37 13.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.497 -0.774 . . . . 1.59 109.989 172.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -157.15 140.73 15.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.487 -0.779 . . . . 2.3 110.401 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.98 116.21 13.49 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.848 -0.427 . . . . 1.04 109.848 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.83 149.69 26.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.945 0.403 . . . . 1.16 111.897 -174.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -98.79 134.31 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.881 -1.155 . . . . 1.08 107.881 169.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.941 HG12 ' HA2' ' A' ' 79' ' ' GLY . 22.4 mm -84.34 126.52 40.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.548 0.689 . . . . 1.07 111.385 -167.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.51 HG23 ' HA ' ' A' ' 75' ' ' SER . 39.0 p -125.18 146.29 49.57 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.37 -1.286 . . . . 1.06 108.188 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 73' ' ' GLN . 15.6 t70 -57.59 136.43 56.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.668 0.271 . . . . 0.64 111.092 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -57.69 -30.61 65.61 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.819 0.674 . . . . 6.12 112.819 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -94.49 -54.53 3.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.215 0.45 . . . . 2.3 112.215 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 p -91.39 -19.03 23.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.097 0.475 . . . . 1.36 111.707 -175.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 48.8 mt-30 68.03 26.79 7.22 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.077 -0.965 . . . . 2.05 111.177 173.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -87.15 131.65 34.1 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.459 -0.571 . . . . 2.65 109.459 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.51 ' HA ' HG23 ' A' ' 68' ' ' THR . 13.7 m -58.8 128.83 39.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.895 0.378 . . . . 1.28 110.786 176.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -98.25 13.44 31.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.035 -0.53 . . . . 2.76 111.414 -173.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.08 16.87 79.45 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.73 -0.748 . . . . 0.31 114.312 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.42 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 37.5 p90 -153.3 167.65 28.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.635 0.718 . . . . 1.11 110.39 175.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.941 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -158.24 -173.95 27.32 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.512 -0.851 . . . . 0.17 112.864 -175.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.436 ' HD1' HD12 ' A' ' 67' ' ' ILE . 49.8 m-85 -133.97 145.45 49.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.662 0.744 . . . . 0.43 112.172 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.1 t -130.99 127.51 61.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 114.459 -1.246 . . . . 1.06 109.756 171.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.5 m -104.9 110.44 22.82 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.211 -1.033 . . . . 1.07 108.211 175.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.558 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.6 mmm -84.49 149.48 25.91 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.247 0.546 . . . . 1.06 110.658 -178.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -75.26 -18.04 60.17 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.194 -0.912 . . . . 2.07 111.181 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -144.51 149.39 35.84 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.271 -0.422 . . . . 1.02 110.483 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.515 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 47.1 ttt180 -63.11 -42.27 99.53 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.031 -0.532 . . . . 3.61 111.633 -177.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.629 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -61.61 -44.38 97.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.307 . . . . 1.1 110.713 -173.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.5 m -63.5 -42.39 98.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.174 -0.466 . . . . 1.04 110.152 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.558 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.76 -44.84 95.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.416 0.627 . . . . 0.96 111.156 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -70.4 -35.15 73.28 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.538 -0.756 . . . . 2.08 111.392 -175.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 17.5 mmt180 -60.76 -39.88 90.42 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.415 -0.587 . . . . 3.84 109.415 175.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.73 78.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.538 -0.755 . . . . 1.03 111.028 175.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.0 m -81.34 -10.83 59.48 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 111.588 0.218 . . . . 0.34 111.588 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.487 ' O ' ' HD2' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -65.61 -39.66 91.77 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.33 -0.619 . . . . 3.42 109.33 177.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -101.1 93.81 3.38 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.081 -0.711 . . . . 1.12 109.081 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.509 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 60.4 Cg_endo -69.99 -12.15 31.89 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.762 2.308 . . . . 0.57 113.759 -170.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.66 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 11.2 m120 -130.01 68.25 80.64 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 112.285 0.476 . . . . 0.7 112.285 -176.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.458 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 9.7 Cg_exo -73.73 139.39 27.81 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.967 2.445 . . . . 0.81 112.035 174.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.4 mm -84.71 111.18 20.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.008 0.432 . . . . 1.15 110.272 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.5 mt -121.96 121.66 64.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.788 -0.642 . . . . 1.16 110.045 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.425 ' OD2' HG22 ' A' ' 50' ' ' THR . 32.1 m-20 59.45 33.15 22.19 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.531 -0.759 . . . . 1.33 110.481 -177.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.3 15.2 78.92 Favored Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.704 -0.68 . . . . 0.59 113.441 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.42 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 24.4 tpt180 -120.03 143.82 47.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.385 -0.48 . . . . 2.41 110.486 178.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -78.22 120.44 23.01 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.292 -0.413 . . . . 2.43 110.081 176.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.66 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.49 158.41 16.93 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.863 0.364 . . . . 1.04 110.763 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.509 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 5.6 m-20 -112.65 115.73 29.04 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.131 -0.692 . . . . 1.53 109.131 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.488 HG23 HG11 ' A' ' 39' ' ' VAL . 59.5 t -115.37 132.65 64.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 112.291 0.478 . . . . 1.14 112.291 -176.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -151.79 152.84 33.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.382 -0.827 . . . . 0.68 109.846 173.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.0 mt -55.57 131.03 45.25 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.089 -0.708 . . . . 1.08 109.089 172.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.36 -36.22 70.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.046 0.758 . . . . 1.02 113.046 -168.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -71.89 -13.15 61.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.901 0.382 . . . . 1.01 111.504 -175.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.6 -12.54 60.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.558 -0.292 . . . . 1.15 111.198 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.69 13.8 1.55 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 0.41 112.026 -178.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.982 0.42 . . . . 1.18 110.227 -179.088 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.593 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 0.8 OUTLIER . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 112.512 0.56 . . . . 1.26 112.512 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 61.7 mtp -54.07 -53.26 55.62 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.982 0.734 . . . . 1.46 112.982 -177.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.577 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 77.5 m-85 -105.91 -0.96 24.67 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.555 -0.458 . . . . 1.01 111.398 -176.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.593 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 41.5 p -101.52 -22.53 14.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.742 0.275 . . . . 1.06 111.742 -176.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.6 tttp -86.65 112.56 21.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.012 0.434 . . . . 1.86 109.9 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 89' ' ' ALA . 62.7 mt -100.01 130.89 48.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 116.054 -0.521 . . . . 1.09 110.471 178.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -104.82 128.94 53.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.564 -0.532 . . . . 0.36 109.564 174.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.606 HG11 HG23 ' A' ' 107' ' ' VAL . 3.6 t -113.01 132.5 61.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.848 -0.426 . . . . 1.06 109.848 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.85 151.43 18.21 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.982 -0.554 . . . . 0.24 111.798 -175.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.79 14.31 79.89 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.639 -0.791 . . . . 0.25 112.545 177.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.7 mt -66.54 130.0 94.12 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 120.626 0.25 . . . . 0.96 110.893 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 18.8 Cg_endo -58.58 148.13 83.28 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.121 1.88 . . . . 0.33 110.378 173.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -64.56 -13.69 54.12 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.941 -0.303 . . . . 1.01 111.628 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.544 ' HB2' ' OD1' ' A' ' 101' ' ' ASP . 18.7 m-70 -75.95 -22.33 56.07 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 121.026 -0.27 . . . . 3.21 111.382 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 m -55.06 127.87 31.07 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.97 0.414 . . . . 1.13 111.776 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.1 p -111.35 161.14 16.38 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.712 -0.676 . . . . 0.59 109.46 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.428 ' OD1' ' HA ' ' A' ' 65' ' ' VAL . 2.4 m-20 -53.99 -34.34 59.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.039 -0.528 . . . . 0.55 110.779 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -60.19 -46.8 88.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.336 -0.847 . . . . 2.74 111.135 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.7 m -64.78 -38.15 90.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.411 -0.359 . . . . 1.16 111.334 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.2 mt -69.12 -45.46 70.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.365 -0.606 . . . . 1.09 109.365 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.488 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 22.3 t-80 -55.61 -55.03 36.86 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.146 -0.934 . . . . 0.93 110.622 176.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.671 ' HG3' ' N ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -62.02 -37.95 86.81 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.206 0.447 . . . . 2.68 112.206 -175.822 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.671 ' N ' ' HG3' ' A' ' 53' ' ' GLU . 15.4 t80 -70.53 -53.65 15.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 1.38 111.404 -174.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.43 ' HB2' HD13 ' A' ' 61' ' ' ILE . 84.5 m-85 -72.92 -27.67 62.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.643 0.609 . . . . 0.34 112.643 -178.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' ' 52' ' ' HIS . 1.5 mm-40 -62.79 -17.74 61.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.937 0.399 . . . . 1.93 110.926 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -67.84 -17.41 64.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.379 -0.373 . . . . 2.59 111.07 174.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -92.38 -24.37 18.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 0.36 110.601 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.25 -172.65 38.41 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.947 -0.644 . . . . 1.36 112.189 -177.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.93 130.08 41.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.043 0.449 . . . . 0.69 111.401 -176.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.527 HG12 ' SD ' ' A' ' 83' ' ' MET . 18.5 mt -99.3 139.58 20.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.692 -0.685 . . . . 1.06 112.195 176.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 82' ' ' THR . 40.8 mm-40 -77.69 -51.25 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.774 -1.103 . . . . 1.59 109.717 173.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -159.68 139.86 11.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.595 -1.184 . . . . 2.3 109.529 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.39 115.58 12.5 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.768 -0.456 . . . . 1.04 109.768 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.428 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 30.6 m -137.56 150.11 25.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.136 0.493 . . . . 1.16 111.784 -176.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.0 t -94.95 134.42 32.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.113 -1.069 . . . . 1.08 108.113 169.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.769 HG12 ' HA2' ' A' ' 79' ' ' GLY . 28.6 mm -85.58 125.24 40.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.5 0.667 . . . . 1.07 110.856 -170.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.716 HG23 ' HA ' ' A' ' 75' ' ' SER . 76.7 p -123.7 149.54 45.38 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.66 -1.155 . . . . 1.06 108.566 177.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -57.58 127.04 30.04 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.529 -0.545 . . . . 0.64 109.529 172.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.54 ' HD3' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -59.63 -20.77 58.24 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.047 0.758 . . . . 6.12 113.047 -174.445 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.47 ' OD1' ' HG2' ' A' ' 70' ' ' ARG . 4.5 m-20 -90.57 -53.09 4.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.789 0.292 . . . . 2.3 111.789 -175.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.9 p -91.37 -20.36 21.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.101 0.477 . . . . 1.36 111.195 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 64.02 32.86 12.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.944 -1.025 . . . . 2.05 110.964 174.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -97.94 138.36 35.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.073 -0.967 . . . . 2.65 109.437 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.716 ' HA ' HG23 ' A' ' 68' ' ' THR . 9.0 m -59.39 131.24 50.37 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.155 0.284 . . . . 1.28 110.779 -177.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.707 ' HD3' ' HH ' ' A' ' 78' ' ' TYR . 27.8 mtp180 -96.56 15.11 22.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.308 0.575 . . . . 2.76 110.739 -175.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.29 13.88 81.12 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-N 115.435 -0.802 . . . . 0.31 114.688 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.707 ' HH ' ' HD3' ' A' ' 76' ' ' ARG . 54.3 p90 -150.57 167.89 25.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.654 0.727 . . . . 1.11 109.997 177.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.769 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -159.12 -177.55 32.3 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 119.995 -1.098 . . . . 0.17 112.989 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -133.24 139.31 46.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.727 0.775 . . . . 0.43 112.126 -177.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 t -125.92 127.2 70.98 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 114.396 -1.275 . . . . 1.06 108.765 168.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 19.5 m -106.05 113.25 26.67 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 107.861 -1.162 . . . . 1.07 107.861 174.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.583 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.6 mmm -85.41 145.89 27.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.201 0.524 . . . . 1.06 110.368 -178.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -69.43 -18.78 63.77 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.22 -0.9 . . . . 2.07 111.236 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -144.74 150.7 37.71 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.951 0.405 . . . . 1.02 111.342 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.577 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 24.9 ttm180 -59.86 -43.22 94.78 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.359 -0.837 . . . . 3.61 112.459 -176.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -64.71 -43.8 92.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.465 -0.334 . . . . 1.1 110.886 -173.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.4 m -62.43 -43.39 98.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.335 0.588 . . . . 1.04 109.811 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.612 ' HA ' HD12 ' A' ' 37' ' ' ILE . . . -63.94 -44.82 91.69 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.244 -0.889 . . . . 0.96 111.221 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -69.59 -37.06 76.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.222 -0.444 . . . . 2.08 111.525 -176.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 4.9 mtp180 -60.57 -40.45 91.72 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 120.573 -0.451 . . . . 3.84 109.901 177.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.42 -35.74 80.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.579 -0.737 . . . . 1.03 111.406 175.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.1 m -81.89 -9.34 59.62 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 112.348 0.499 . . . . 0.34 112.348 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -63.93 -38.3 90.58 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 121.297 -0.161 . . . . 3.42 111.395 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -111.34 102.67 53.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.269 -0.641 . . . . 1.12 109.269 176.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.537 ' C ' ' HD3' ' A' ' 98' ' ' PRO . 59.9 Cg_endo -71.06 -2.75 11.58 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.985 2.457 . . . . 0.57 114.588 -174.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.518 HD21 ' C ' ' A' ' 96' ' ' PRO . 1.0 OUTLIER -121.98 55.49 6.13 Favored Pre-proline 0 N--CA 1.472 0.658 0 N-CA-C 112.933 0.716 . . . . 0.7 112.933 -176.181 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.537 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 4.8 Cg_exo -73.9 138.06 25.36 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.288 1.992 . . . . 0.81 111.907 177.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 49.1 mm -83.75 116.62 28.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.171 -0.468 . . . . 1.15 110.562 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.3 mt -126.03 124.46 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 1.16 110.48 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' A' ' 45' ' ' HIS . 33.9 t70 59.19 34.51 23.2 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.859 0.838 . . . . 1.33 110.079 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.71 12.43 82.76 Favored Glycine 0 CA--C 1.522 0.524 0 CA-C-N 115.44 -0.8 . . . . 0.59 113.798 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.424 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 70.8 ttt180 -130.4 140.65 50.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.298 0.549 . . . . 2.41 110.386 -179.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -73.64 123.52 24.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.389 -0.369 . . . . 2.43 110.699 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.33 159.47 16.35 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.596 -0.729 . . . . 1.04 110.475 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.529 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 91.7 m-20 -111.13 115.51 29.53 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.167 -0.679 . . . . 1.53 109.167 178.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.606 HG23 HG11 ' A' ' 39' ' ' VAL . 97.7 t -119.11 133.43 65.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.397 0.518 . . . . 1.14 112.397 -175.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.458 ' C ' HD21 ' A' ' 108' ' ' ASN . 0.3 OUTLIER -159.37 160.0 34.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.345 -0.843 . . . . 0.68 109.319 174.244 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.4 mt -55.67 127.88 32.06 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.926 -0.398 . . . . 1.08 109.926 174.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.97 70.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.862 0.69 . . . . 1.02 112.862 -169.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -70.82 -15.92 62.69 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 121.074 -0.251 . . . . 1.01 111.329 -176.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.5 mt -76.76 -8.51 57.44 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.482 0.549 . . . . 1.15 112.482 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.98 13.64 1.7 Allowed Glycine 0 C--N 1.323 -0.14 0 C-N-CA 120.728 -0.749 . . . . 0.41 112.037 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-O 120.839 0.352 . . . . 1.18 111.14 -178.092 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.227 -0.081 0 N-CA-C 112.373 0.508 . . . . 1.26 112.373 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 69.7 mtp -54.92 -52.3 63.38 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.36 0.874 . . . . 1.46 113.36 -174.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.546 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 81.1 m-85 -105.75 0.48 26.21 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.162 -0.615 . . . . 1.01 111.168 -176.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.0 p -106.33 -30.21 9.29 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.544 -0.298 . . . . 1.06 111.713 -175.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -82.92 111.7 19.04 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 121.177 0.513 . . . . 1.86 109.743 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.8 mt -101.76 132.77 47.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.451 -0.795 . . . . 1.09 110.431 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -97.42 123.43 41.26 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.424 -0.584 . . . . 0.36 109.424 175.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.506 HG11 HG23 ' A' ' 107' ' ' VAL . 3.7 t -104.33 124.67 58.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.355 -0.609 . . . . 1.06 109.355 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.24 156.98 19.3 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.098 -0.572 . . . . 0.24 112.256 -173.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.15 9.85 86.65 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.916 -0.659 . . . . 0.25 112.534 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.19 135.02 93.55 Favored Pre-proline 0 C--N 1.327 -0.389 0 C-N-CA 122.301 0.24 . . . . 0.96 110.66 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.519 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 45.7 Cg_endo -68.9 152.35 73.6 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.028 1.818 . . . . 0.33 110.292 174.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -63.59 -14.76 54.64 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.988 0.366 . . . . 1.01 111.988 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.401 ' HB2' ' OD1' ' A' ' 101' ' ' ASP . 16.2 m-70 -76.27 -22.78 54.69 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.888 0.329 . . . . 3.21 111.888 178.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.7 m -58.21 134.81 56.84 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.296 0.48 . . . . 1.13 112.296 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.9 p -117.14 167.52 11.11 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.161 -0.472 . . . . 0.59 110.367 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -53.12 -39.62 63.6 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.895 -0.593 . . . . 0.55 111.419 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.573 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 37.9 ttpt -69.11 -33.77 74.0 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.35 -0.387 . . . . 2.74 110.119 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.0 m -62.04 -40.39 95.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.995 0.426 . . . . 1.16 110.191 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.5 mt -71.91 -40.99 68.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 1.09 110.29 176.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -55.34 -56.0 25.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.605 -0.725 . . . . 0.93 111.067 177.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 9.5 mm-40 -59.67 -43.65 93.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.632 0.604 . . . . 2.68 112.632 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.444 ' OH ' ' HB3' ' A' ' 98' ' ' PRO . 73.3 t80 -70.17 -52.59 22.24 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.914 -0.714 . . . . 1.38 111.911 -175.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.443 ' CB ' HD12 ' A' ' 61' ' ' ILE . 79.0 m-85 -71.81 -27.64 63.06 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.143 0.794 . . . . 0.34 113.143 -176.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -17.68 64.99 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.387 -0.525 . . . . 1.93 110.843 -175.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -67.58 -11.58 58.42 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.961 -0.563 . . . . 2.59 111.158 177.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 43.5 m-85 -92.38 -30.22 15.9 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 122.303 -0.248 . . . . 0.36 111.135 178.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.16 -168.64 36.51 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.41 -0.9 . . . . 1.36 112.568 -174.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -63.03 117.6 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.469 0.652 . . . . 0.69 112.334 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.482 HG12 ' SD ' ' A' ' 83' ' ' MET . 31.9 mt -96.66 133.44 38.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.435 -0.802 . . . . 1.06 111.054 168.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.445 ' OE1' ' HE2' ' A' ' 84' ' ' LYS . 1.9 mm-40 -80.3 -42.32 23.26 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.117 -0.947 . . . . 1.59 109.607 174.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -157.63 135.33 10.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.155 -0.93 . . . . 2.3 109.685 -173.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.91 113.71 10.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 117.832 0.287 . . . . 1.04 110.3 176.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 m -139.24 150.79 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.304 0.483 . . . . 1.16 112.304 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.6 t -96.74 133.92 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 107.788 -1.19 . . . . 1.08 107.788 169.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.81 HG12 ' HA2' ' A' ' 79' ' ' GLY . 26.0 mm -82.92 128.37 38.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-O 121.679 0.752 . . . . 1.07 110.942 -169.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.727 HG23 ' HA ' ' A' ' 75' ' ' SER . 32.5 p -129.48 147.04 51.25 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.425 -1.261 . . . . 1.06 107.835 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.97 132.03 48.21 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.854 -0.738 . . . . 0.64 109.744 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.495 ' H ' ' HD2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -61.66 -15.99 44.72 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.429 0.9 . . . . 6.12 113.429 -172.332 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -86.06 -58.39 2.66 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.68 -0.408 . . . . 2.3 110.898 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.1 p -96.59 -20.68 18.16 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.28 0.474 . . . . 1.36 112.28 -174.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 68.34 23.49 7.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.468 -0.787 . . . . 2.05 110.891 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -77.82 150.91 34.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.043 -0.526 . . . . 2.65 109.787 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.727 ' HA ' HG23 ' A' ' 68' ' ' THR . 15.5 m -75.56 123.49 25.57 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.01 -0.367 . . . . 1.28 110.01 -171.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.955 ' HD3' ' HH ' ' A' ' 78' ' ' TYR . 54.1 mtt180 -82.02 5.74 18.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.046 0.451 . . . . 2.76 111.523 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.58 10.89 80.13 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.827 -0.701 . . . . 0.31 114.124 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.955 ' HH ' ' HD3' ' A' ' 76' ' ' ARG . 40.7 p90 -149.6 165.04 33.47 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.268 -0.641 . . . . 1.11 109.268 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.81 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -154.38 -175.81 25.99 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 119.91 -1.138 . . . . 0.17 112.766 -176.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -132.74 138.26 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.6 0.714 . . . . 0.43 111.373 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.3 t -122.98 123.27 67.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 114.664 -1.153 . . . . 1.06 109.346 170.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -101.81 108.92 20.56 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.35 -0.981 . . . . 1.07 108.35 177.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.541 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.8 mmm -84.2 148.33 26.8 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.37 0.605 . . . . 1.06 110.579 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.445 ' HE2' ' OE1' ' A' ' 62' ' ' GLU . 19.7 ttmt -75.85 -17.94 59.62 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.768 -1.105 . . . . 2.07 110.625 -177.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -147.36 151.01 35.82 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.351 0.596 . . . . 1.02 110.984 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.546 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 4.7 ttm180 -60.7 -41.79 95.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.303 -0.862 . . . . 3.61 111.947 -176.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.698 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -66.04 -45.74 80.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.365 -0.38 . . . . 1.1 111.171 -170.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.8 m -63.7 -39.11 93.49 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.61 -0.515 . . . . 1.04 109.61 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.541 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.83 -44.72 95.38 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.953 -0.567 . . . . 0.96 111.002 177.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -71.37 -34.69 70.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.738 -0.664 . . . . 2.08 111.919 -175.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.698 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 29.9 mmm180 -60.24 -39.94 88.47 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.118 -0.697 . . . . 3.84 109.118 175.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.524 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -61.38 -37.26 82.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.514 -0.767 . . . . 1.03 111.166 175.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 64.4 m -81.43 -12.57 58.88 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.064 0.394 . . . . 0.34 112.064 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -65.64 -34.62 78.65 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.193 0.52 . . . . 3.42 109.739 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -108.07 88.86 5.02 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 108.619 -0.882 . . . . 1.12 108.619 172.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.534 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 54.5 Cg_endo -69.09 -3.83 12.35 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.0 2.467 . . . . 0.57 113.944 -174.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.649 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 12.3 m120 -129.18 67.09 78.01 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 111.973 0.36 . . . . 0.7 111.973 -178.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.444 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 5.0 Cg_exo -74.69 142.11 28.48 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.789 2.326 . . . . 0.81 111.705 174.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.3 mm -83.32 110.44 18.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.43 -0.582 . . . . 1.15 109.43 172.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.4 mt -125.79 120.59 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.064 -0.517 . . . . 1.16 110.167 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.401 ' OD1' ' HB2' ' A' ' 45' ' ' HIS . 26.4 t70 60.5 34.86 20.34 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.984 0.897 . . . . 1.33 110.246 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.21 3.51 88.47 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.025 -0.989 . . . . 0.59 112.87 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.519 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 15.7 tpt180 -115.37 137.02 52.48 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 122.723 -0.281 . . . . 2.41 110.673 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -74.84 120.16 20.01 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.438 -0.949 . . . . 2.43 108.438 171.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.649 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.41 159.2 16.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.295 -0.411 . . . . 1.04 110.666 -175.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.534 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 3.7 m-20 -115.07 115.3 26.57 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.201 -0.666 . . . . 1.53 109.201 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.506 HG23 HG11 ' A' ' 39' ' ' VAL . 94.5 t -117.76 134.23 62.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.898 0.38 . . . . 1.14 111.936 -175.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -155.9 155.97 33.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.809 -0.632 . . . . 0.68 110.05 175.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' A' ' 34' ' ' PHE . 88.1 mt -55.81 130.64 44.3 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.712 -0.477 . . . . 1.08 109.712 174.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.11 -33.04 73.7 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.229 0.826 . . . . 1.02 113.229 -167.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -68.08 -16.51 64.05 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.786 -0.366 . . . . 1.01 111.298 -175.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.1 mt -71.16 -8.15 51.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.332 0.493 . . . . 1.15 112.332 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.74 12.62 0.99 Allowed Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.766 -0.73 . . . . 0.41 111.328 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.127 0.489 . . . . 1.18 112.004 -174.132 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.999 0 N-CA-C 112.231 -0.348 . . . . 7.45 112.231 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 73.17 12.74 4.88 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.557 0.743 . . . . 4.68 111.761 178.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 25.5 mmt -122.28 -80.46 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.094 0.473 . . . . 7.32 110.045 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -108.51 20.72 29.56 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.598 -0.811 . . . . 3.45 112.021 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 p -85.71 81.94 8.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.897 0.379 . . . . 4.75 111.088 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.633 ' HA ' ' HB2' ' A' ' 33' ' ' MET . 5.7 ppt_? -100.43 -7.59 24.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.696 0.76 . . . . 6.08 109.334 175.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -64.73 -27.6 69.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.367 -1.288 . . . . 2.39 110.539 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.627 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 2.2 p -125.68 -0.11 7.44 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.518 -0.764 . . . . 1.26 111.711 -175.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.633 ' HB2' ' HA ' ' A' ' 30' ' ' ARG . 23.7 ttt -51.16 -54.33 26.35 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.137 0.792 . . . . 1.46 113.137 -171.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.53 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 62.5 m-85 -106.72 2.2 25.58 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 121.914 -0.491 . . . . 1.01 111.941 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.3 p -106.61 -22.07 12.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.807 0.669 . . . . 1.06 112.807 -175.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.627 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 40.0 tttp -85.75 113.17 21.72 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.758 0.313 . . . . 1.86 110.381 -177.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 89' ' ' ALA . 65.5 mt -103.13 134.29 44.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.186 -0.461 . . . . 1.09 111.163 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -100.78 128.66 46.74 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.589 -0.522 . . . . 0.36 109.589 173.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 t -110.66 130.42 64.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.866 -0.42 . . . . 1.06 109.866 178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.02 160.78 21.31 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.939 -0.573 . . . . 0.24 112.051 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.39 28.21 64.21 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.814 -0.708 . . . . 0.25 112.776 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.2 mt -85.67 130.33 51.37 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.762 0.315 . . . . 0.96 110.955 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 16.3 Cg_endo -60.41 142.9 99.21 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.877 1.718 . . . . 0.33 110.165 172.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -62.13 -20.67 64.32 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.716 0.265 . . . . 1.01 111.716 -172.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.436 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 19.1 p80 -81.0 -13.29 59.0 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.122 0.786 . . . . 3.21 113.122 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.446 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 48.2 m -56.07 139.76 45.88 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.526 0.603 . . . . 1.13 111.189 175.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.7 p -111.9 163.17 14.52 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.086 0.469 . . . . 0.59 110.705 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.65 -36.74 62.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.556 -0.747 . . . . 0.55 110.696 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.654 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 26.6 ttpp -68.68 -35.36 77.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 2.74 110.281 -178.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.4 m -62.32 -39.86 94.42 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.704 0.287 . . . . 1.16 110.544 177.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.4 mt -70.42 -42.49 71.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.647 -0.501 . . . . 1.09 109.647 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -55.93 -55.52 31.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.255 -0.884 . . . . 0.93 111.548 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.654 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 25.0 mm-40 -60.02 -45.37 93.02 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.443 0.534 . . . . 2.68 112.443 -176.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -70.16 -51.61 29.88 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.891 -0.324 . . . . 1.38 111.375 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -71.18 -27.93 63.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.483 0.92 . . . . 0.34 113.483 -176.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -68.77 -13.92 62.7 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.766 -0.774 . . . . 1.93 110.727 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -67.03 -11.06 55.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 2.59 111.84 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -92.16 -15.58 27.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.6 0.238 . . . . 0.36 110.943 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.42 -110.82 0.43 Allowed Glycine 0 C--N 1.329 0.166 0 C-N-CA 120.601 -0.809 . . . . 1.36 112.515 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -130.83 139.95 50.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.923 0.392 . . . . 0.69 110.924 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.44 HG12 ' SD ' ' A' ' 83' ' ' MET . 39.9 mt -110.35 140.94 27.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.114 0.483 . . . . 1.06 111.73 177.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -79.24 -51.63 9.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.234 -0.893 . . . . 1.59 109.579 172.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -155.3 136.21 13.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.738 -1.119 . . . . 2.3 109.888 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.13 114.51 11.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.773 -0.455 . . . . 1.04 109.773 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.4 m -138.55 151.62 24.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.935 -0.575 . . . . 1.16 111.992 -174.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 50.0 t -96.06 134.3 34.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.543 -1.28 . . . . 1.08 107.543 170.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.775 HG12 ' HA2' ' A' ' 79' ' ' GLY . 43.7 mm -85.12 128.66 38.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.494 0.664 . . . . 1.07 111.274 -168.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.626 HG23 ' HA ' ' A' ' 75' ' ' SER . 73.9 p -121.93 149.3 43.62 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 115.013 -0.994 . . . . 1.06 108.709 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.67 126.61 28.11 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.738 -0.467 . . . . 0.64 109.738 173.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.559 ' C ' ' HD3' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -62.75 -16.57 58.3 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.77 0.655 . . . . 6.12 112.77 -172.618 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -87.59 -54.23 4.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.985 0.422 . . . . 2.3 110.833 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.1 p -92.51 -15.39 27.1 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.243 0.46 . . . . 1.36 112.243 -175.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 62.99 30.95 16.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.418 -0.81 . . . . 2.05 110.529 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -103.99 140.5 37.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.616 -0.72 . . . . 2.65 109.84 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.626 ' HA ' HG23 ' A' ' 68' ' ' THR . 14.6 m -59.02 131.5 51.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 1.28 111.925 -173.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -93.45 10.53 31.96 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.0 -0.545 . . . . 2.76 110.671 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.697 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 73.43 16.26 78.91 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.526 -0.761 . . . . 0.31 114.869 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -149.11 165.21 32.44 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.909 -0.775 . . . . 1.11 108.909 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.775 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -152.0 179.51 28.51 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 119.754 -1.212 . . . . 0.17 112.962 -174.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.595 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 53.5 m-85 -134.11 139.77 46.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.847 0.832 . . . . 0.43 111.607 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.6 t -125.55 130.41 72.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 114.361 -1.291 . . . . 1.06 109.24 170.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 m -108.2 110.64 22.32 Favored 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.795 -1.187 . . . . 1.07 107.795 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.502 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 91.3 mmm -83.92 149.28 26.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.089 0.471 . . . . 1.06 110.443 -175.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -76.56 -19.75 57.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.217 -0.902 . . . . 2.07 110.137 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.52 146.62 38.37 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.535 -0.757 . . . . 1.02 110.577 -178.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.53 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 59.7 ttt180 -66.49 -43.81 84.37 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.328 0.492 . . . . 3.61 112.328 -177.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.664 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -60.42 -40.18 90.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.003 0.43 . . . . 1.1 110.32 -176.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.5 m -62.29 -44.38 96.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.487 -0.779 . . . . 1.04 109.73 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.53 ' HA ' HD12 ' A' ' 37' ' ' ILE . . . -63.42 -44.92 93.22 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.654 -0.703 . . . . 0.96 110.884 178.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -69.88 -37.55 76.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.668 -0.696 . . . . 2.08 111.659 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.664 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 28.5 mmm180 -61.01 -39.23 88.94 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.478 -0.564 . . . . 3.84 109.478 175.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.74 74.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.857 -0.61 . . . . 1.03 111.26 175.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 60.8 m -80.8 -16.12 54.61 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.654 0.242 . . . . 0.34 111.654 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -32.34 70.42 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 110.155 -0.313 . . . . 3.42 110.155 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -101.33 89.5 1.4 Allowed Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.868 -0.79 . . . . 1.12 108.868 171.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.502 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 56.4 Cg_endo -69.62 -15.4 37.59 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.434 2.089 . . . . 0.57 113.904 -170.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.751 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 14.9 m120 -131.04 63.74 71.37 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 112.492 0.553 . . . . 0.7 112.492 -173.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -75.28 148.78 34.66 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.481 2.121 . . . . 0.81 112.489 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.3 mm -80.21 111.81 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.852 0.358 . . . . 1.15 110.255 175.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.9 mt -120.8 115.15 46.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.26 -0.427 . . . . 1.16 110.279 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.76 44.34 26.34 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.707 -0.679 . . . . 1.33 111.383 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.45 6.02 89.51 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 115.395 -0.82 . . . . 0.59 114.732 174.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.542 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 63.4 ttt180 -134.41 141.76 46.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.751 0.776 . . . . 2.41 110.494 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.543 ' HD3' ' HB3' ' A' ' 97' ' ' ASN . 23.8 ttmm -76.4 127.38 32.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.226 -0.443 . . . . 2.43 110.061 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.751 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.59 161.34 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.76 -0.654 . . . . 1.04 110.987 -176.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.502 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 2.0 p-10 -116.73 117.78 30.72 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.183 -0.673 . . . . 1.53 109.183 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 59.0 t -117.62 137.3 51.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.736 -0.665 . . . . 1.14 112.109 -172.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -156.28 155.94 33.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.969 -0.559 . . . . 0.68 110.053 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.3 mt -55.51 128.25 33.58 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.786 -0.449 . . . . 1.08 109.786 172.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.75 -34.19 77.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.023 0.749 . . . . 1.02 113.023 -168.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -63.51 -20.27 65.47 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.849 0.357 . . . . 1.01 111.237 -174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.422 ' HA ' HD21 ' A' ' 112' ' ' LEU . 59.8 mt -70.7 -7.98 48.67 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.606 0.595 . . . . 1.15 112.606 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -148.98 12.94 1.11 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.699 -0.762 . . . . 0.41 111.685 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.38 135.78 36.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.682 0.277 . . . . 1.18 110.834 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.476 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 99.8 mttt -76.34 136.7 68.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.184 -0.462 . . . . 2.55 110.369 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 115' ' ' LYS . 12.0 Cg_exo -70.71 176.96 6.77 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 123.094 2.529 . . . . 2.19 112.141 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 74.18 -24.56 0.21 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.429 0.692 . . . . 7.0 111.513 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.444 ' H ' ' C ' ' A' ' 116' ' ' PRO . 25.6 p -61.36 152.48 29.39 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.915 0.388 . . . . 4.62 111.96 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -94.34 -174.64 3.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.942 -0.572 . . . . 6.53 110.34 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 39.7 t -119.41 -49.04 3.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 107.539 -1.282 . . . . 6.0 107.539 167.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 . . . . . 0 C--O 1.244 0.803 0 CA-C-N 114.371 -1.286 . . . . 8.27 108.207 168.406 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.443 HO5' " H2'" ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O5'-C5'-C4' 111.69 1.065 . . . . 4.71 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.697 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.632 0 C3'-C2'-C1' 99.912 -1.991 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.524 ' C6 ' ' OP1' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.433 -0.448 0 P-O5'-C5' 122.904 1.253 . . . . 2.38 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C4'-C3' 103.771 -1.829 . . . . 1.46 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.595 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 O4'-C1'-N19 109.473 2.091 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . 0.428 " O4'" HD13 ' A' ' 67' ' ' ILE . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 P-O3'-C3' 120.813 0.928 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 O4'-C1'-C2' 106.912 0.738 . . . . 5.88 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.544 ' HA2' ' OP1' ' B' ' 6' ' ' ' DG' . . . . . . . . 0 N--CA 1.485 1.916 0 N-CA-C 112.198 -0.361 . . . . 7.45 112.198 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -120.9 100.66 7.21 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.651 -0.5 . . . . 4.68 109.651 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -113.28 -63.35 1.46 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.988 -0.551 . . . . 7.32 110.167 -176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.93 51.59 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.413 -0.899 . . . . 3.45 111.696 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.0 m -98.02 90.56 4.94 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.106 0.479 . . . . 4.75 111.17 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.508 ' HD2' ' C ' ' A' ' 30' ' ' ARG . 2.1 ppt_? -69.6 -15.25 63.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.403 0.621 . . . . 6.08 110.424 176.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -67.72 -28.08 67.35 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.425 -0.807 . . . . 2.39 110.507 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.591 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 4.4 p -96.24 11.31 34.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.111 -0.95 . . . . 1.26 112.815 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 52.7 mtp -53.16 -53.7 46.68 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.858 0.688 . . . . 1.46 112.858 -178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.524 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 47.8 m-85 -106.29 -5.26 19.27 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 118.229 0.468 . . . . 1.01 111.905 -177.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.486 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 10.9 p -99.87 -23.38 14.97 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.552 -0.295 . . . . 1.06 111.766 -174.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.591 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 86.0 tttt -95.23 113.76 25.48 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.401 0.62 . . . . 1.86 110.288 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.402 HG12 HD21 ' A' ' 109' ' ' LEU . 73.8 mt -103.36 132.86 48.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.13 -0.941 . . . . 1.09 110.534 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -97.89 123.6 41.94 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.116 -0.698 . . . . 0.36 109.116 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.546 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.3 t -107.29 128.49 62.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.33 -0.619 . . . . 1.06 109.33 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.47 153.93 18.89 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.051 -0.595 . . . . 0.24 112.628 -172.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.9 16.27 77.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.829 -0.701 . . . . 0.25 112.617 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.2 mt -74.88 133.77 75.72 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 120.658 0.266 . . . . 0.96 111.094 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 19.1 Cg_endo -60.67 146.02 97.89 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.378 2.052 . . . . 0.33 110.94 173.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -64.59 -15.19 60.69 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.804 0.335 . . . . 1.01 111.322 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -77.28 -22.0 52.74 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.366 -0.379 . . . . 3.21 111.548 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.9 m -55.64 136.12 50.7 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 111.733 0.272 . . . . 1.13 111.733 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.6 p -110.77 163.44 13.76 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.031 0.443 . . . . 0.59 110.197 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -53.79 -32.65 53.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.762 -0.654 . . . . 0.55 110.324 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.611 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 38.8 ttmt -68.71 -38.2 80.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.728 -0.669 . . . . 2.74 110.774 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.8 m -62.12 -36.94 83.26 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.024 0.44 . . . . 1.16 110.415 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.3 mt -70.77 -41.09 72.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.108 -0.497 . . . . 1.09 110.199 176.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -55.62 -55.27 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.66 -0.7 . . . . 0.93 111.213 176.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 14.4 mm-40 -59.53 -44.6 93.16 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.06 0.393 . . . . 2.68 112.06 -175.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -70.77 -52.84 18.16 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.575 -0.45 . . . . 1.38 111.459 -172.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.413 ' HB2' HD12 ' A' ' 61' ' ' ILE . 77.2 m-85 -71.72 -28.32 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.638 0.977 . . . . 0.34 113.638 -176.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -66.34 -16.21 63.87 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.257 -0.577 . . . . 1.93 110.562 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -67.58 -18.65 65.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 2.59 111.292 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 77.3 m-85 -91.71 -22.58 20.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.986 0.422 . . . . 0.36 110.517 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.522 ' HA3' ' HB3' ' A' ' 88' ' ' SER . . . 165.9 -176.19 41.36 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.441 -0.663 . . . . 1.36 111.441 -178.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.83 136.9 47.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.091 0.472 . . . . 0.69 110.88 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.413 HD12 ' HB2' ' A' ' 55' ' ' PHE . 40.5 mt -105.64 134.78 46.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.689 -0.687 . . . . 1.06 110.918 178.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' HG2' ' HE2' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -80.06 -44.73 19.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.107 -0.951 . . . . 1.59 109.537 175.685 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -158.9 136.49 10.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.364 -0.835 . . . . 2.3 110.156 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.08 115.38 12.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.883 -0.414 . . . . 1.04 109.883 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.4 m -138.06 151.84 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.857 0.36 . . . . 1.16 111.648 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.06 134.82 32.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.435 -0.95 . . . . 1.08 108.435 171.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.487 HG12 ' HA2' ' A' ' 79' ' ' GLY . 14.1 mm -83.55 128.53 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.71 0.767 . . . . 1.07 111.869 -169.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.464 HG23 ' HA ' ' A' ' 75' ' ' SER . 46.4 p -124.27 146.42 48.78 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.289 -1.323 . . . . 1.06 109.318 -178.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -57.3 135.56 56.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.602 0.239 . . . . 0.64 110.624 173.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -24.52 67.43 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.076 0.769 . . . . 6.12 113.076 -178.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -86.01 -55.55 3.89 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.651 -0.42 . . . . 2.3 111.752 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.5 p -91.02 -14.16 31.92 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.141 0.423 . . . . 1.36 112.141 -173.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 61.05 29.85 19.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.211 -0.904 . . . . 2.05 110.333 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -104.12 139.84 38.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.704 -0.68 . . . . 2.65 110.546 -177.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.464 ' HA ' HG23 ' A' ' 68' ' ' THR . 15.2 m -60.44 133.47 56.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.245 0.545 . . . . 1.28 111.467 -175.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -97.5 18.45 15.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.864 -0.607 . . . . 2.76 111.189 -176.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.47 16.7 80.47 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.956 -0.64 . . . . 0.31 114.303 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.546 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 47.7 p90 -156.49 167.64 29.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.267 0.534 . . . . 1.11 110.497 176.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.487 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -151.26 -177.19 24.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.17 113.038 -175.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.541 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 47.8 m-85 -132.36 139.76 48.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.58 0.705 . . . . 0.43 111.904 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.6 t -127.16 126.61 68.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 114.401 -1.272 . . . . 1.06 109.574 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 m -106.43 110.36 22.55 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.06 -1.089 . . . . 1.07 108.06 175.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.49 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.4 mmm -83.48 149.41 26.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.083 0.468 . . . . 1.06 110.001 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.436 ' HE2' ' HG2' ' A' ' 62' ' ' GLU . 12.3 ttmt -76.33 -17.11 59.58 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.624 -0.716 . . . . 2.07 110.883 -177.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.8 147.33 38.88 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.399 -0.364 . . . . 1.02 111.084 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.524 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 33.0 ttm180 -63.99 -44.33 93.0 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 112.75 0.648 . . . . 3.61 112.75 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.644 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -64.57 -40.37 95.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.891 0.377 . . . . 1.1 110.519 -175.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.522 ' HB3' ' HA3' ' A' ' 59' ' ' GLY . 16.1 m -62.36 -43.47 98.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.637 -0.71 . . . . 1.04 109.977 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.49 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -63.17 -42.35 99.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.237 -0.892 . . . . 0.96 111.572 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -69.51 -37.14 77.03 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.395 -0.366 . . . . 2.08 111.126 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.644 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 49.4 mtp180 -59.8 -38.74 82.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.995 0.426 . . . . 3.84 110.07 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.404 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -63.21 -39.34 94.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.542 -0.754 . . . . 1.03 111.385 174.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 61.4 m -82.28 -9.32 59.52 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.073 0.397 . . . . 0.34 112.073 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -64.79 -35.38 80.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.665 0.269 . . . . 3.42 111.088 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -113.46 92.67 24.14 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 108.228 -1.027 . . . . 1.12 108.228 172.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.523 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 56.9 Cg_endo -69.72 2.55 3.41 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.225 2.616 . . . . 0.57 114.233 -170.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.502 ' N ' ' HD3' ' A' ' 98' ' ' PRO . 15.7 m120 -126.08 53.87 9.77 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 112.873 0.694 . . . . 0.7 112.873 -176.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 3.4 Cg_exo -74.29 144.15 32.62 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.428 2.085 . . . . 0.81 112.087 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.1 mm -81.64 110.96 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.839 -0.43 . . . . 1.15 109.839 176.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.9 mt -121.57 122.98 68.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.488 -0.324 . . . . 1.16 110.927 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.9 t70 58.84 39.37 24.06 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.783 0.801 . . . . 1.33 110.243 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.55 6.81 87.01 Favored Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.366 -0.834 . . . . 0.59 113.723 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.432 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 52.8 ttt180 -133.09 134.27 44.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.937 0.368 . . . . 2.41 110.754 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.422 ' HD3' ' HB3' ' A' ' 97' ' ' ASN . 23.5 ttmm -67.53 123.45 20.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.983 0.421 . . . . 2.43 110.147 177.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.58 160.15 15.9 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.305 -0.861 . . . . 1.04 110.255 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.523 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 94.9 m-20 -111.01 115.35 29.33 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.843 -0.799 . . . . 1.53 108.843 177.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.444 HG23 HG11 ' A' ' 39' ' ' VAL . 91.1 t -114.39 128.18 71.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.05 -0.523 . . . . 1.14 111.596 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -152.73 153.55 33.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.875 -0.602 . . . . 0.68 109.74 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.402 HD21 HG12 ' A' ' 37' ' ' ILE . 98.5 mt -56.48 130.35 44.55 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.756 -0.461 . . . . 1.08 109.756 173.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.08 -32.11 69.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.328 0.862 . . . . 1.02 113.328 -168.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -67.85 -15.06 63.44 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.734 -0.386 . . . . 1.01 111.527 -176.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.5 mt -74.17 -8.14 55.11 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.594 0.59 . . . . 1.15 112.594 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -150.82 13.37 0.87 Allowed Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 120.182 -1.008 . . . . 0.41 112.311 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.11 145.4 32.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.873 -0.163 . . . . 1.18 111.043 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -81.49 124.29 80.28 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.387 0.613 . . . . 2.55 110.941 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.446 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 83.3 Cg_endo -88.06 63.38 3.43 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.657 2.905 . . . . 2.19 112.702 -178.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 116' ' ' PRO . 22.3 mmt180 69.74 19.8 7.09 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.371 0.419 . . . . 7.0 111.384 178.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.1 p -75.0 -59.34 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.588 -0.278 . . . . 4.62 111.74 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -149.03 103.07 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 6.53 110.953 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.99 118.19 15.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 N-CA-C 109.37 -0.604 . . . . 6.0 109.37 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.551 -0.738 . . . . 8.27 110.418 -177.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.579 0 C3'-C2'-C1' 100.937 -1.26 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.596 0 N19-C1'-C2' 115.862 1.039 . . . . 2.8 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.419 ' C2 ' ' C5 ' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C4'-C3'-C2' 101.859 -1.341 . . . . 2.38 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.473 " H2'" ' N3 ' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C4'-C3'-C2' 104.644 1.444 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.541 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 N19-C1'-C2' 115.476 0.797 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . 0.544 ' OP1' ' HA2' ' A' ' 25' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.628 0 P-O5'-C5' 122.338 0.899 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 P-O5'-C5' 121.789 0.555 . . . . 5.88 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.824 0 N-CA-C 111.869 -0.492 . . . . 7.45 111.869 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.98 -1.2 57.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.745 0.307 . . . . 4.68 111.639 -174.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.6 tpt -70.1 -6.87 36.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.147 0.499 . . . . 7.32 111.276 -177.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.79 -24.03 76.81 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.082 -0.58 . . . . 3.45 112.643 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.0 t -102.07 95.53 6.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.563 0.697 . . . . 4.75 109.504 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.433 ' C ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -102.87 0.14 32.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.328 -0.851 . . . . 6.08 110.708 -178.47 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.06 -27.79 22.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.206 -0.906 . . . . 2.39 110.877 176.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.628 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 34.9 p -97.38 -1.26 44.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.046 -0.524 . . . . 1.26 111.058 177.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 57.9 ttm -51.66 -54.74 24.76 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.003 0.742 . . . . 1.46 113.003 -173.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.574 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 79.5 m-85 -105.34 -0.53 26.11 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 120.765 -0.374 . . . . 1.01 111.274 -177.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.529 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 32.3 p -104.43 -25.03 12.97 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 111.803 0.298 . . . . 1.06 111.803 -175.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.628 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 54.4 tttm -87.69 112.05 21.95 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 121.299 0.571 . . . . 1.86 110.087 -177.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 89' ' ' ALA . 67.0 mt -99.6 134.75 37.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.295 -0.866 . . . . 1.09 110.173 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -99.13 123.77 43.67 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.097 -0.705 . . . . 0.36 109.097 172.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.474 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 6.4 t -105.73 124.51 60.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.684 -0.487 . . . . 1.06 109.684 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.71 155.9 19.82 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.826 -0.702 . . . . 0.24 112.501 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.16 26.97 60.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.711 -0.757 . . . . 0.25 112.56 177.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.456 HD12 HD22 ' A' ' 51' ' ' LEU . 87.0 mt -84.64 142.98 40.29 Favored Pre-proline 0 C--N 1.323 -0.568 0 C-N-CA 122.214 0.206 . . . . 0.96 110.501 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.53 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 18.8 Cg_endo -62.22 141.1 86.77 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.972 1.781 . . . . 0.33 110.068 171.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -59.62 -30.19 68.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.492 0.553 . . . . 1.01 112.492 -171.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.445 ' HD2' ' HB2' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -76.83 -10.16 59.18 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.166 0.432 . . . . 3.21 112.166 -177.241 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.53 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 51.7 m -56.99 136.18 56.25 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.0 0.428 . . . . 1.13 111.441 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.0 p -111.58 166.47 11.12 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.98 -0.555 . . . . 0.59 110.928 -176.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -53.29 -36.13 60.85 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.606 -0.725 . . . . 0.55 110.305 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HZ3' ' HB2' ' A' ' 49' ' ' LYS . 4.0 ttmp? -60.58 -42.76 97.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.341 -0.845 . . . . 2.74 110.855 178.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.473 ' HB ' HG21 ' A' ' 46' ' ' THR . 17.2 m -61.45 -41.44 97.22 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.838 0.351 . . . . 1.16 110.711 -178.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.456 HD22 HD12 ' A' ' 42' ' ' LEU . 26.2 mt -71.31 -41.9 69.31 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.222 -0.445 . . . . 1.09 110.484 177.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -56.26 -55.65 30.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.506 -0.77 . . . . 0.93 110.702 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.17 -45.68 90.39 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.508 0.559 . . . . 2.68 112.508 -177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -69.41 -53.35 19.81 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.541 -0.464 . . . . 1.38 111.93 -172.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.457 ' HB2' HD12 ' A' ' 61' ' ' ILE . 69.0 m-85 -72.9 -28.36 62.42 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.807 1.04 . . . . 0.34 113.807 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' HB3' HD13 ' A' ' 61' ' ' ILE . 15.9 pt-20 -70.0 -15.92 63.09 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.129 -0.628 . . . . 1.93 110.927 -175.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -70.47 -7.63 44.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.482 -0.326 . . . . 2.59 111.351 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -91.28 -15.06 29.77 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.872 0.368 . . . . 0.36 110.507 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.11 -111.36 0.44 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.916 -0.659 . . . . 1.36 112.615 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -127.07 123.76 37.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.736 0.303 . . . . 0.69 111.171 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.491 HD13 ' HB3' ' A' ' 56' ' ' GLU . 25.5 mt -94.84 133.6 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.069 0.462 . . . . 1.06 111.248 174.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -88.59 -37.94 15.26 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.665 -0.698 . . . . 1.59 110.268 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -159.33 134.31 8.14 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.155 -0.683 . . . . 2.3 109.155 177.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.475 ' HB1' HG22 ' A' ' 61' ' ' ILE . . . -138.02 115.63 11.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.949 0.34 . . . . 1.04 111.113 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.76 149.03 23.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.151 0.5 . . . . 1.16 112.257 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.47 HG22 HG23 ' A' ' 46' ' ' THR . 99.0 t -91.02 135.15 27.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 107.861 -1.162 . . . . 1.08 107.861 171.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.883 HG12 ' HA2' ' A' ' 79' ' ' GLY . 24.9 mm -84.02 126.5 40.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.262 0.553 . . . . 1.07 111.073 -168.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.8 p -119.11 145.8 45.65 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.02 -0.991 . . . . 1.06 108.804 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' HB3' ' OG1' ' A' ' 72' ' ' THR . 20.5 t70 -57.77 137.88 56.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.219 0.533 . . . . 0.64 111.879 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -57.71 -33.76 68.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.139 -0.937 . . . . 6.12 112.908 -176.508 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -97.24 -16.4 20.38 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.744 1.016 . . . . 2.3 113.744 -173.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.403 ' OG1' ' HB3' ' A' ' 69' ' ' ASP . 33.0 p -123.28 -24.22 4.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.425 0.631 . . . . 1.36 111.023 -173.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 64.78 29.4 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.402 -1.272 . . . . 2.05 109.878 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -93.75 134.16 36.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.948 -1.024 . . . . 2.65 109.701 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.5 m -60.27 134.37 56.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.177 0.513 . . . . 1.28 110.856 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.4 mtp85 -91.89 11.08 26.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.511 0.672 . . . . 2.76 109.949 -177.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.997 ' HA3' ' H21' ' B' ' 2' ' ' ' DG' . . . 74.42 17.91 79.84 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.984 -1.007 . . . . 0.31 112.88 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.474 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 26.4 p90 -154.89 167.39 30.46 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.361 -0.607 . . . . 1.11 109.361 177.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.883 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -157.82 -171.51 23.87 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.297 -0.954 . . . . 0.17 112.693 -176.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.651 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 55.0 m-85 -133.18 138.85 46.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.918 0.866 . . . . 0.43 111.671 -178.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.4 t -123.32 124.74 70.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-N 113.908 -1.497 . . . . 1.06 109.345 174.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.6 m -106.32 107.69 18.83 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.19 -1.041 . . . . 1.07 108.19 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.522 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.2 mmm -85.59 140.61 30.47 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.9 -0.408 . . . . 1.06 109.9 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -68.42 -17.59 64.25 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.535 -0.757 . . . . 2.07 110.613 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -141.37 148.36 39.52 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-O 120.843 0.354 . . . . 1.02 110.627 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.574 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 52.8 ttt180 -63.36 -42.98 98.93 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.912 -0.585 . . . . 3.61 111.961 -177.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.484 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -61.96 -40.37 95.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.905 0.383 . . . . 1.1 110.649 -172.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.3 m -64.54 -43.94 92.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.925 -0.579 . . . . 1.04 110.153 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.662 ' HA ' HD12 ' A' ' 37' ' ' ILE . . . -62.99 -44.72 95.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.823 -0.626 . . . . 0.96 111.363 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.412 ' HG2' ' NZ ' ' A' ' 94' ' ' LYS . 45.6 tt0 -69.94 -34.81 73.93 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.965 -0.562 . . . . 2.08 111.913 -175.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 16.3 mtm180 -60.87 -39.69 90.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.938 -0.764 . . . . 3.84 108.938 175.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.89 98.48 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.476 -0.784 . . . . 1.03 111.381 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.9 m -82.31 -11.75 58.43 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.404 0.52 . . . . 0.34 112.404 -176.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -68.15 -31.74 71.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.778 0.323 . . . . 3.42 110.175 -176.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -105.07 111.23 65.19 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.034 -0.728 . . . . 1.12 109.034 172.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.609 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.0 Cg_endo -70.57 -13.47 32.65 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.434 2.09 . . . . 0.57 114.462 -175.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.561 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 7.9 m120 -134.36 64.21 63.81 Favored Pre-proline 0 N--CA 1.466 0.356 0 N-CA-C 112.965 0.728 . . . . 0.7 112.965 -173.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 8.4 Cg_exo -73.99 145.18 35.3 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.594 2.196 . . . . 0.81 111.43 171.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.3 mm -83.67 111.83 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.109 -0.33 . . . . 1.15 110.109 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.4 mt -124.56 132.9 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.132 -0.486 . . . . 1.16 110.362 -178.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 t0 58.43 33.06 22.8 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.46 0.648 . . . . 1.33 110.113 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.39 12.78 80.09 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 116.034 -0.53 . . . . 0.59 113.138 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -134.23 141.08 46.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.979 0.418 . . . . 2.41 111.622 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -66.76 119.54 12.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.879 0.371 . . . . 2.43 110.524 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.53 159.38 16.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.047 -0.524 . . . . 1.04 110.605 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.609 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 32.1 t-20 -113.07 116.34 29.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.214 -0.661 . . . . 1.53 109.214 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 38.4 t -111.6 140.94 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.107 0.479 . . . . 1.14 111.947 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -160.16 147.9 16.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.737 -0.665 . . . . 0.68 109.484 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.9 mt -55.72 127.56 30.59 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.802 -0.444 . . . . 1.08 109.802 171.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.61 -31.53 72.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.291 0.849 . . . . 1.02 113.291 -168.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -69.02 -17.83 63.96 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.444 -0.502 . . . . 1.01 110.857 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 81.2 mt -71.64 -7.9 50.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.924 -0.58 . . . . 1.15 112.182 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.17 13.36 1.09 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.373 -0.918 . . . . 0.41 112.449 -175.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.38 123.22 28.37 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.761 -0.376 . . . . 1.18 110.546 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -84.37 146.39 47.48 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.165 -0.47 . . . . 2.55 111.034 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -74.45 31.98 0.35 Allowed 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 123.002 2.468 . . . . 2.19 113.308 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -98.46 -53.65 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.27 -1.011 . . . . 7.0 108.27 178.745 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.6 t -89.88 122.17 32.67 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.365 -0.834 . . . . 4.62 109.422 174.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -104.56 21.25 17.11 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.216 -0.447 . . . . 6.53 110.516 -177.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.7 t 74.88 -54.39 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 115.753 -0.658 . . . . 6.0 111.204 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.693 -0.67 . . . . 8.27 109.913 -178.912 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.557 0 O5'-C5'-C4' 111.852 1.18 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.997 ' H21' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.63 0 C3'-C2'-C1' 100.832 -1.334 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 C3'-C2'-C1' 101.416 -0.917 . . . . 2.38 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.582 " H2'" ' N3 ' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 C4'-C3'-C2' 104.34 1.14 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.651 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.431 -0.553 0 O4'-C1'-N19 109.25 1.812 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . 0.445 ' N7 ' ' HE2' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C5'-C4'-C3' 115.676 0.651 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C4'-C3' 104.384 -1.216 . . . . 5.88 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 N-CA-C 111.836 -0.506 . . . . 7.45 111.836 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.25 -43.47 28.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.009 0.433 . . . . 4.68 110.201 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.3 ptm -131.21 168.7 17.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.624 -0.716 . . . . 7.32 109.709 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.86 -17.04 71.02 Favored Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 121.268 -0.492 . . . . 3.45 113.255 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.4 m -80.91 96.64 7.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.148 0.499 . . . . 4.75 110.207 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.793 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -103.98 -7.66 20.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.732 -0.667 . . . . 6.08 110.562 -179.44 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -64.94 -21.63 66.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.663 -0.699 . . . . 2.39 110.784 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -99.59 -2.43 35.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.779 -0.646 . . . . 1.26 111.807 -178.052 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 76.3 mtp -56.5 -49.82 73.59 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.764 0.653 . . . . 1.46 112.764 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -104.72 -0.13 27.72 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.969 -0.457 . . . . 1.01 111.156 -173.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.8 p -109.97 -21.73 12.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.855 0.359 . . . . 1.06 111.881 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HB2' HG23 ' A' ' 32' ' ' THR . 81.8 tttt -92.67 117.61 30.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 1.86 110.054 -175.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' A' ' 89' ' ' ALA . 63.3 mt -102.06 133.83 44.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.903 -0.59 . . . . 1.09 110.365 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -98.6 124.09 43.17 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.35 -0.981 . . . . 0.36 108.35 171.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.558 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.2 t -109.73 130.98 61.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.378 -0.601 . . . . 1.06 109.378 -177.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.23 165.25 20.47 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.086 -0.578 . . . . 0.24 111.697 -173.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.99 10.18 67.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.565 -0.826 . . . . 0.25 112.959 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.4 132.25 94.3 Favored Pre-proline 0 C--N 1.326 -0.425 0 C-N-CA 122.249 0.22 . . . . 0.96 110.629 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.679 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 18.2 Cg_endo -59.71 143.23 99.68 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.086 1.857 . . . . 0.33 109.79 174.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.548 ' HH ' H2'' ' B' ' 1' ' ' ' DG' . 33.6 m-85 -62.32 -14.19 36.78 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.033 0.383 . . . . 1.01 112.033 -173.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -75.07 -22.15 58.51 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 121.125 -0.23 . . . . 3.21 111.3 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.6 m -54.65 130.72 41.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.816 0.341 . . . . 1.13 111.571 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.8 p -111.91 165.38 12.14 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.306 -0.406 . . . . 0.59 110.326 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -54.0 -35.35 61.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.705 -0.68 . . . . 0.55 110.653 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.758 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 18.1 ttmm -65.5 -42.18 92.39 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.655 -0.702 . . . . 2.74 110.616 177.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.1 m -61.61 -39.06 89.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.348 . . . . 1.16 111.051 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.0 mt -70.9 -43.4 68.39 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.742 -0.466 . . . . 1.09 109.742 177.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 52.7 t-80 -56.05 -56.29 22.61 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.601 -0.727 . . . . 0.93 110.818 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.758 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 3.6 mm-40 -59.61 -39.94 85.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.748 0.277 . . . . 2.68 111.748 -175.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -70.53 -55.49 8.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.992 0.425 . . . . 1.38 111.676 -174.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.535 ' HB2' HD12 ' A' ' 61' ' ' ILE . 82.5 m-85 -74.34 -27.33 60.63 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.743 1.016 . . . . 0.34 113.743 -176.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -61.16 -24.48 66.32 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.07 0.462 . . . . 1.93 111.453 -177.537 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -72.29 -7.61 50.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.972 -0.558 . . . . 2.59 111.993 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 82.9 m-85 -91.62 -31.67 15.78 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.421 0.526 . . . . 0.36 112.421 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.814 ' HA3' ' HB3' ' A' ' 88' ' ' SER . . . 155.99 60.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 119.033 -1.556 . . . . 1.36 114.273 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.433 ' HB3' ' HE3' ' A' ' 84' ' ' LYS . 2.8 m-20 72.82 123.17 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 124.309 1.044 . . . . 0.69 113.382 171.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.535 HD12 ' HB2' ' A' ' 55' ' ' PHE . 13.7 mt -101.11 136.85 30.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.147 -0.933 . . . . 1.06 112.059 172.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.505 ' OE1' ' HE2' ' A' ' 84' ' ' LYS . 13.8 mm-40 -80.87 -48.98 11.62 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.515 -1.221 . . . . 1.59 109.958 170.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -154.54 139.13 16.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.006 -0.997 . . . . 2.3 110.555 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.483 ' HB3' HD11 ' A' ' 61' ' ' ILE . . . -137.36 114.62 10.9 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.188 -0.301 . . . . 1.04 110.188 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.6 m -139.04 149.24 23.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.88 0.372 . . . . 1.16 111.578 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.8 t -91.92 134.02 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.462 -0.94 . . . . 1.08 108.462 170.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.838 HG12 ' HA2' ' A' ' 79' ' ' GLY . 29.9 mm -83.19 125.53 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 CA-C-O 121.662 0.744 . . . . 1.07 111.071 -170.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.526 HG23 ' HA ' ' A' ' 75' ' ' SER . 37.9 p -123.71 148.0 46.95 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 114.601 -1.181 . . . . 1.06 108.838 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 73' ' ' GLN . 4.7 t70 -57.52 136.41 56.71 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.843 -0.343 . . . . 0.64 110.394 173.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.562 ' HD3' " H5'" ' B' ' 7' ' ' ' DC' . 5.3 mtm180 -57.61 -39.2 76.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.05 0.453 . . . . 6.12 111.167 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.42 ' HB2' ' OD2' ' A' ' 69' ' ' ASP . 52.6 m-80 -75.02 -58.68 3.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 2.3 112.012 -172.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.3 p -92.39 -21.72 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.151 0.426 . . . . 1.36 112.151 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.424 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 64.9 mt-30 67.89 27.89 7.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.367 -0.833 . . . . 2.05 110.183 177.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -87.67 135.51 33.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.985 -1.007 . . . . 2.65 109.468 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.526 ' HA ' HG23 ' A' ' 68' ' ' THR . 11.0 p -58.54 129.75 43.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.243 0.544 . . . . 1.28 111.079 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -90.8 11.53 22.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.862 -0.608 . . . . 2.76 110.424 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.715 ' HA3' ' H21' ' B' ' 2' ' ' ' DG' . . . 74.3 18.27 79.81 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.457 -0.792 . . . . 0.31 113.735 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.558 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 47.9 p90 -157.38 168.56 27.0 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.745 -0.465 . . . . 1.11 109.745 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.838 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -159.28 -171.7 25.44 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.339 -0.934 . . . . 0.17 112.629 -175.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.684 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 55.4 m-85 -131.27 139.24 49.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.563 0.697 . . . . 0.43 112.028 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.6 t -125.59 127.33 71.53 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 114.612 -1.176 . . . . 1.06 109.027 167.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.8 m -104.47 110.18 22.35 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 107.554 -1.276 . . . . 1.07 107.554 173.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.536 ' CE ' ' HB2' ' A' ' 88' ' ' SER . 97.7 mmm -84.53 153.7 23.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.105 0.479 . . . . 1.06 109.854 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.505 ' HE2' ' OE1' ' A' ' 62' ' ' GLU . 26.4 ttmt -73.69 -17.95 61.07 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.165 -0.925 . . . . 2.07 110.636 -176.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -145.27 154.22 42.13 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.994 -0.548 . . . . 1.02 110.433 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -65.17 -42.54 93.57 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.705 -0.68 . . . . 3.61 111.826 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.741 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -66.83 -39.92 87.81 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.28 -0.168 . . . . 1.1 111.179 -175.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.814 ' HB3' ' HA3' ' A' ' 59' ' ' GLY . 1.4 p -61.83 -44.01 97.69 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.356 0.598 . . . . 1.04 109.785 177.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.574 ' HA ' HD12 ' A' ' 37' ' ' ILE . . . -62.19 -41.56 98.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.07 -0.968 . . . . 0.96 110.917 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -70.73 -38.77 73.61 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 112.571 0.582 . . . . 2.08 112.571 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.741 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 90.1 mtt180 -61.7 -36.25 80.36 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 119.811 -0.756 . . . . 3.84 109.091 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.431 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -64.9 -37.63 88.27 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.067 -0.969 . . . . 1.03 111.551 172.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 78.5 m -80.01 -11.65 59.77 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.559 0.219 . . . . 0.34 111.521 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 94' ' ' LYS . 24.1 tptp -71.23 -26.47 62.94 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.677 -0.409 . . . . 3.42 110.404 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -103.26 89.73 2.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 108.011 -1.107 . . . . 1.12 108.011 168.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.571 ' C ' HD21 ' A' ' 97' ' ' ASN . 58.1 Cg_endo -70.03 -14.39 35.16 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.733 2.288 . . . . 0.57 113.283 -171.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.571 HD21 ' C ' ' A' ' 96' ' ' PRO . 1.1 m-80 -128.87 59.87 46.35 Favored Pre-proline 0 C--O 1.237 0.447 0 N-CA-C 111.754 0.279 . . . . 0.7 111.754 -175.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.422 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 5.3 Cg_exo -73.1 146.12 40.59 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.587 2.192 . . . . 0.81 112.205 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.5 mm -84.79 110.98 19.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.097 0.475 . . . . 1.15 110.409 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.5 mt -121.98 119.87 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.727 -0.669 . . . . 1.16 110.012 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.464 ' HB3' ' CG ' ' A' ' 43' ' ' PRO . 22.2 t70 59.67 34.95 22.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.808 0.813 . . . . 1.33 110.516 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.4 0.31 86.53 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.592 -0.731 . . . . 0.59 113.672 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.679 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 17.9 tpt180 -116.05 137.59 51.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.057 0.428 . . . . 2.41 110.331 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.456 ' HD3' ' OD1' ' A' ' 97' ' ' ASN . 24.2 ttmm -71.43 119.34 15.44 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.641 -0.503 . . . . 2.43 109.641 173.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.03 159.78 16.04 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.212 -0.449 . . . . 1.04 110.999 -176.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -104.04 135.03 46.31 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.415 -0.811 . . . . 1.53 109.471 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 61.6 t -132.15 127.22 57.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.219 -0.446 . . . . 1.14 111.139 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -159.28 148.22 18.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.881 -0.6 . . . . 0.68 109.87 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.8 mt -56.11 127.35 30.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.12 -0.696 . . . . 1.08 109.12 172.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.72 -35.39 68.49 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.906 0.706 . . . . 1.02 112.906 -170.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.36 -19.15 65.39 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.77 -0.372 . . . . 1.01 111.206 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.5 mt -72.52 -7.85 52.13 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 112.236 0.458 . . . . 1.15 112.236 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.12 13.56 2.34 Favored Glycine 0 C--N 1.322 -0.231 0 N-CA-C 111.144 -0.782 . . . . 0.41 111.144 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.14 147.43 32.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.435 -0.383 . . . . 1.18 110.548 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 35.5 mmtp -78.13 133.73 64.46 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.539 -0.301 . . . . 2.55 110.969 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 115' ' ' LYS . 3.3 Cg_exo -75.29 170.56 20.06 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.098 2.532 . . . . 2.19 111.078 173.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 61.81 25.19 15.12 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.442 0.297 . . . . 7.0 111.313 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.5 149.75 31.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.938 0.399 . . . . 4.62 111.525 -177.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -92.48 169.08 10.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.088 -0.506 . . . . 6.53 110.651 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 40.9 t -84.92 143.7 11.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.051 -0.522 . . . . 6.0 110.277 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.768 -0.634 . . . . 8.27 109.446 175.781 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.548 H2'' ' HH ' ' A' ' 44' ' ' TYR . . . . . . . . 0 O5'--C5' 1.43 -0.624 0 O5'-C5'-C4' 111.288 0.777 . . . . 4.71 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.715 ' H21' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 C3'-C2'-C1' 100.641 -1.471 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.427 " H4'" " H5'" ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.615 0 C3'-C2'-C1' 99.935 -1.975 . . . . 2.38 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.427 " H5'" " H4'" ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 C1'-O4'-C4' 106.761 -2.1 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.684 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 N19-C1'-C2' 116.164 1.227 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . 0.473 ' O6 ' ' HE3' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.432 -0.52 0 O4'-C4'-C3' 106.282 0.682 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.562 " H5'" ' HD3' ' A' ' 70' ' ' ARG . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 P-O3'-C3' 120.654 0.795 . . . . 5.88 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.777 0 CA-C-O 119.98 -0.345 . . . . 7.45 112.701 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.559 ' O ' ' HB2' ' A' ' 27' ' ' MET . . . 73.44 -50.24 0.69 Allowed 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.027 1.121 . . . . 4.68 114.027 170.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.559 ' HB2' ' O ' ' A' ' 26' ' ' ALA . 60.3 mtt 81.0 165.81 0.16 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.891 0.877 . . . . 7.32 110.582 -172.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.02 -164.46 19.58 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 111.543 -0.623 . . . . 3.45 111.543 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.3 t -158.24 127.57 5.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.893 0.347 . . . . 4.75 110.77 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -152.66 144.99 23.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.735 -0.666 . . . . 6.08 109.629 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.76 -9.61 15.42 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.564 0.697 . . . . 2.39 111.167 -177.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.474 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 0.0 OUTLIER -96.62 0.33 49.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.528 -0.76 . . . . 1.26 111.242 -176.465 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.3 ttt -53.62 -51.49 62.91 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.316 0.487 . . . . 1.46 112.316 -177.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -105.33 0.75 27.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.826 0.346 . . . . 1.01 111.709 -174.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.474 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 10.7 p -108.13 -17.27 14.07 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.95 0.405 . . . . 1.06 111.426 -176.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.534 ' HE3' ' O6 ' ' B' ' 6' ' ' ' DG' . 84.5 tttt -89.34 113.87 25.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.088 -0.505 . . . . 1.86 110.239 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 89' ' ' ALA . 57.6 mt -100.61 134.64 39.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.632 -0.713 . . . . 1.09 110.721 -178.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -100.43 123.62 44.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.523 -0.547 . . . . 0.36 109.523 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.604 HG11 HG23 ' A' ' 107' ' ' VAL . 5.2 t -106.22 125.83 61.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.945 -0.391 . . . . 1.06 109.945 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.4 157.46 20.84 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.168 -0.539 . . . . 0.24 112.212 -173.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.502 ' O ' ' HD3' ' A' ' 103' ' ' ARG . . . 84.49 5.51 86.82 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.719 -0.753 . . . . 0.25 112.639 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.93 130.04 93.97 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 122.315 0.246 . . . . 0.96 111.201 -177.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.442 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 9.9 Cg_endo -57.08 143.37 93.14 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.21 1.94 . . . . 0.33 109.91 170.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -59.93 -28.35 67.53 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.193 0.442 . . . . 1.01 112.193 -172.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.437 ' HD2' ' HB2' ' A' ' 43' ' ' PRO . 2.9 p80 -81.12 -8.3 59.74 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.723 0.638 . . . . 3.21 112.723 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.442 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 49.9 m -56.13 138.63 49.42 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.86 0.362 . . . . 1.13 111.165 173.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.5 p -110.71 161.76 15.44 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 121.22 0.533 . . . . 0.59 111.256 -176.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -53.8 -34.26 58.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.413 -0.812 . . . . 0.55 110.72 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -67.28 -36.22 81.1 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 116.21 -0.45 . . . . 2.74 110.805 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.1 m -65.37 -39.14 91.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.703 0.287 . . . . 1.16 111.174 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.401 HD23 ' HE1' ' A' ' 55' ' ' PHE . 25.1 mt -70.41 -42.82 71.13 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.095 -0.642 . . . . 1.09 109.765 177.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -55.81 -56.51 19.71 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.687 -0.688 . . . . 0.93 110.656 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.416 ' HA ' ' OE2' ' A' ' 56' ' ' GLU . 9.3 pt-20 -60.29 -41.99 94.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.889 0.7 . . . . 2.68 112.889 -174.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -69.78 -52.91 21.1 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.382 -0.372 . . . . 1.38 110.857 -175.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.401 ' HE1' HD23 ' A' ' 51' ' ' LEU . 71.3 m-85 -74.56 -27.66 60.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.614 0.968 . . . . 0.34 113.614 -177.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 11.1 pt-20 -64.53 -21.29 66.65 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.009 0.433 . . . . 1.93 110.945 -175.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -72.26 -7.75 51.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.233 -0.439 . . . . 2.59 111.181 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -91.62 1.44 57.15 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.63 -0.259 . . . . 0.36 111.553 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.92 -120.16 1.23 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.159 -1.019 . . . . 1.36 113.003 -175.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -126.97 128.98 47.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.65 0.262 . . . . 0.69 110.727 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.432 HG12 ' SD ' ' A' ' 83' ' ' MET . 31.6 mt -100.83 139.92 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.216 0.532 . . . . 1.06 111.883 176.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -88.04 -46.23 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.132 -0.94 . . . . 1.59 110.073 172.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.569 ' HG2' ' H21' ' B' ' 6' ' ' ' DG' . 3.7 tp10 -145.69 134.82 22.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.976 -0.557 . . . . 2.3 109.603 -178.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.46 113.18 10.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 118.193 0.452 . . . . 1.04 110.08 173.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 m -140.06 150.56 21.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.063 0.458 . . . . 1.16 112.038 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.8 t -95.27 134.21 33.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 107.226 -1.398 . . . . 1.08 107.226 168.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.855 HG12 ' HA2' ' A' ' 79' ' ' GLY . 21.5 mm -82.45 128.42 38.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.248 0.547 . . . . 1.07 111.438 -167.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 38.8 p -124.87 145.69 49.67 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.013 -0.994 . . . . 1.06 108.933 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 73' ' ' GLN . 25.9 t70 -59.01 138.23 57.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.002 0.371 . . . . 0.64 112.002 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.452 ' HB3' ' OP1' ' B' ' 7' ' ' ' DC' . 0.2 OUTLIER -60.31 -27.88 67.68 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.761 1.023 . . . . 6.12 113.761 -177.04 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -97.71 -50.52 4.43 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.55 0.574 . . . . 2.3 112.55 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.1 p -89.69 -16.47 30.34 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.25 0.548 . . . . 1.36 111.111 -175.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 17.2 mt-30 62.08 29.46 17.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.768 -1.106 . . . . 2.05 110.648 175.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -92.81 133.37 36.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.793 -0.64 . . . . 2.65 110.401 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 m -59.19 128.02 35.06 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 123.476 0.485 . . . . 1.28 110.365 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.553 ' HD2' HG23 ' A' ' 67' ' ' ILE . 78.1 mtt180 -89.72 12.98 15.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.711 -0.677 . . . . 2.76 111.398 -171.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.497 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 74.25 11.17 82.1 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.695 -0.764 . . . . 0.31 113.501 -178.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 35.1 p90 -152.32 167.11 29.74 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.758 -0.46 . . . . 1.11 109.758 178.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.855 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -154.75 -176.53 27.1 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.414 -0.898 . . . . 0.17 112.794 -175.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.453 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 53.0 m-85 -133.83 138.92 45.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.93 0.872 . . . . 0.43 112.238 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.2 t -128.73 126.64 65.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 114.156 -1.384 . . . . 1.06 109.662 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.4 m -104.54 110.21 22.41 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.748 -0.834 . . . . 1.07 108.748 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.592 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.5 mmm -84.36 140.21 31.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.336 0.589 . . . . 1.06 109.918 -178.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.42 ' HE3' ' HB2' ' A' ' 84' ' ' LYS . 32.5 ttmt -68.78 -16.45 63.8 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.939 -1.028 . . . . 2.07 110.609 -179.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.8 146.42 39.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.067 -0.515 . . . . 1.02 110.459 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -67.0 -42.45 84.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.934 -0.575 . . . . 3.61 112.417 -176.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.651 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -62.45 -41.03 98.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.809 0.337 . . . . 1.1 110.379 -176.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -62.4 -43.73 98.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.832 -0.622 . . . . 1.04 109.845 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.649 ' HA ' HD12 ' A' ' 37' ' ' ILE . . . -62.19 -41.52 98.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.338 -0.846 . . . . 0.96 110.959 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -69.68 -39.07 77.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.921 -0.581 . . . . 2.08 111.376 -176.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 21.2 mmm180 -60.66 -39.26 87.71 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.848 -0.427 . . . . 3.84 109.848 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.58 94.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.609 -0.723 . . . . 1.03 111.295 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.8 m -82.13 -14.81 55.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.535 . . . . 0.34 112.215 -176.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 94' ' ' LYS . 42.6 tptt -70.81 -31.79 68.64 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.007 -0.277 . . . . 3.42 111.259 -172.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -109.23 88.18 5.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 108.032 -1.099 . . . . 1.12 108.032 169.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.568 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 58.0 Cg_endo -69.72 0.9 4.95 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 123.499 2.799 . . . . 0.57 114.28 -168.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.502 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 16.6 m120 -125.59 57.62 18.62 Favored Pre-proline 0 CA--C 1.535 0.384 0 N-CA-C 112.339 0.496 . . . . 0.7 112.339 -177.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.497 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 3.4 Cg_exo -74.85 144.67 31.1 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.449 2.099 . . . . 0.81 111.887 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.2 mm -82.18 109.41 16.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.113 -0.699 . . . . 1.15 109.113 173.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.1 mt -123.89 121.58 62.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.684 -0.689 . . . . 1.16 110.221 -177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.5 t0 59.79 37.98 21.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.914 0.864 . . . . 1.33 110.26 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.94 11.92 85.09 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 114.851 -1.068 . . . . 0.59 114.189 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.502 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 60.9 ttt180 -133.81 149.87 51.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.416 0.608 . . . . 2.41 110.474 176.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -77.99 121.76 24.64 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.54 -0.541 . . . . 2.43 109.54 174.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.502 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.13 159.34 16.39 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.771 -0.649 . . . . 1.04 110.623 -176.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.568 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 77.9 m-20 -114.84 115.6 27.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.144 -0.687 . . . . 1.53 109.144 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.604 HG23 HG11 ' A' ' 39' ' ' VAL . 57.2 t -120.26 138.28 51.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.956 0.407 . . . . 1.14 111.833 -174.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -158.77 159.7 35.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.914 -0.585 . . . . 0.68 110.188 174.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 98.4 mt -55.77 132.23 48.78 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.85 0.357 . . . . 1.08 110.066 173.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.89 -33.12 75.0 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.25 0.833 . . . . 1.02 113.25 -167.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -68.08 -12.11 60.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.851 0.358 . . . . 1.01 111.243 -175.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.4 mt -74.87 -8.1 55.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 1.15 112.126 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -153.35 13.51 0.61 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.401 -0.904 . . . . 0.41 112.051 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -75.49 145.64 41.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.99 0.424 . . . . 1.18 111.707 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 23.8 mttp -81.4 148.42 62.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.948 -0.569 . . . . 2.55 110.715 177.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 115' ' ' LYS . 37.3 Cg_exo -64.4 -147.64 0.02 OUTLIER 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 124.004 3.136 . . . . 2.19 114.06 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -92.35 85.58 5.43 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 121.195 0.521 . . . . 7.0 109.749 -170.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.0 t -155.7 -47.52 0.08 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.772 -0.649 . . . . 4.62 110.39 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -106.66 2.26 25.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.245 0.545 . . . . 6.53 109.942 175.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 22.8 t -115.91 80.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.962 -0.755 . . . . 6.0 108.962 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 . . . . . 0 C--O 1.252 1.208 0 CA-C-N 115.432 -0.804 . . . . 8.27 110.076 -174.754 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.605 0 O5'-C5'-C4' 111.365 0.832 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.497 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.432 -0.476 0 C3'-C2'-C1' 99.808 -2.065 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.782 " H1'" " O4'" ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.433 -0.461 0 O5'-C5'-C4' 112.465 1.618 . . . . 2.38 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.782 " O4'" " H1'" ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 O4'-C1'-C2' 104.489 -1.464 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.453 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 C3'-C2'-C1' 100.494 -1.576 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . 0.569 ' H21' ' HG2' ' A' ' 63' ' ' GLU . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C4'-C3' 106.254 0.654 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.452 ' OP1' ' HB3' ' A' ' 70' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-N19 108.346 0.682 . . . . 5.88 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 111.409 -0.676 . . . . 7.45 111.409 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -119.07 -82.03 0.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.873 0.336 . . . . 4.68 111.054 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.467 ' SD ' ' HB2' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -91.02 -30.02 17.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.088 0.47 . . . . 7.32 110.025 179.646 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 121.56 -116.26 3.07 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.338 -0.705 . . . . 3.45 111.338 -176.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 t -124.98 145.46 49.87 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.912 -0.403 . . . . 4.75 109.912 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' C ' ' H ' ' A' ' 32' ' ' THR . 5.3 mmt180 -162.47 169.88 19.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.372 -0.376 . . . . 6.08 110.749 -179.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.16 -7.56 6.08 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 124.043 0.937 . . . . 2.39 111.381 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.613 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 7.0 p -124.92 5.92 8.01 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.716 -0.674 . . . . 1.26 112.062 -172.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.2 ttt -51.9 -55.5 19.81 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.407 0.892 . . . . 1.46 113.407 -171.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.539 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 66.1 m-85 -107.74 -2.08 20.37 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.628 -0.429 . . . . 1.01 112.046 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.1 p -102.64 -18.93 15.0 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 111.857 0.317 . . . . 1.06 111.857 -173.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.613 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 87.1 tttt -92.95 113.55 25.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.354 0.597 . . . . 1.86 110.903 -177.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 89' ' ' ALA . 64.0 mt -100.88 134.52 40.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.3 -0.864 . . . . 1.09 110.372 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -93.55 123.1 36.64 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.258 -0.645 . . . . 0.36 109.258 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.498 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 6.5 t -105.11 119.7 54.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.984 -0.747 . . . . 1.06 108.984 178.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.85 154.46 19.3 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.824 -0.703 . . . . 0.24 112.337 -172.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.49 23.84 64.25 Favored Glycine 0 C--O 1.23 -0.137 0 C-N-CA 120.729 -0.748 . . . . 0.25 112.807 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.9 mt -78.99 140.99 58.14 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.639 0.256 . . . . 0.96 110.818 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.463 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 33.9 Cg_endo -66.49 148.22 83.48 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.049 1.833 . . . . 0.33 110.239 171.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -64.85 -14.67 60.22 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 111.764 0.283 . . . . 1.01 111.764 -176.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -75.53 -21.56 57.85 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 121.048 -0.261 . . . . 3.21 111.296 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -55.91 131.12 46.3 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.182 0.515 . . . . 1.13 112.038 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.7 p -111.42 163.62 13.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.637 -0.71 . . . . 0.59 109.765 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.06 -35.52 64.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.298 0.571 . . . . 0.55 110.679 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.52 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 2.7 ttmp? -62.37 -42.19 99.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.801 . . . . 2.74 110.893 175.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.7 m -61.22 -39.36 89.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 1.16 110.934 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.7 mt -71.4 -44.73 64.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.074 0.464 . . . . 1.09 110.139 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -56.4 -55.49 32.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.437 -0.802 . . . . 0.93 111.018 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 8.4 mm-40 -61.2 -41.39 96.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.858 0.688 . . . . 2.68 112.858 -177.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -70.72 -53.17 16.62 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.569 -0.453 . . . . 1.38 111.731 -176.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.468 ' CD1' HG22 ' A' ' 81' ' ' VAL . 62.2 m-85 -71.92 -26.64 62.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.328 0.862 . . . . 0.34 113.328 -176.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -17.59 63.57 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.741 -0.384 . . . . 1.93 111.19 -176.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -67.47 -8.86 36.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 2.59 111.77 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.403 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 49.9 m-85 -91.66 -14.33 30.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.586 0.231 . . . . 0.36 110.989 177.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 160.72 -107.23 0.31 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.744 -0.741 . . . . 1.36 112.231 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -131.21 136.09 47.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.088 0.471 . . . . 0.69 111.457 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.438 HG12 ' SD ' ' A' ' 83' ' ' MET . 47.6 mt -107.79 134.4 49.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.639 -0.709 . . . . 1.06 110.202 177.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -81.42 -41.91 21.18 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.037 -0.727 . . . . 1.59 109.037 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -159.41 138.79 11.35 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.182 -0.917 . . . . 2.3 110.34 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.26 115.42 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.106 -0.331 . . . . 1.04 110.106 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.8 m -137.6 152.01 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.953 0.406 . . . . 1.16 111.909 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.26 134.74 33.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.196 -1.039 . . . . 1.08 108.196 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.465 HG12 ' HA2' ' A' ' 79' ' ' GLY . 20.5 mm -89.07 126.39 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.823 0.82 . . . . 1.07 111.136 -169.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.635 HG23 ' HA ' ' A' ' 75' ' ' SER . 74.2 p -122.16 154.16 37.8 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.359 -1.291 . . . . 1.06 109.518 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -56.0 125.48 21.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.808 -0.442 . . . . 0.64 109.808 171.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.426 ' HD3' ' OP1' ' B' ' 7' ' ' ' DC' . 23.2 tpt180 -59.15 -22.0 60.23 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.749 0.648 . . . . 6.12 112.749 -173.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -90.28 -53.68 4.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.76 0.281 . . . . 2.3 111.76 -175.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.6 p -91.97 -17.56 24.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.963 0.411 . . . . 1.36 111.334 -176.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 64.67 32.02 11.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.499 -0.773 . . . . 2.05 110.748 175.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -100.64 140.97 34.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.027 -0.988 . . . . 2.65 109.713 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.635 ' HA ' HG23 ' A' ' 68' ' ' THR . 33.4 t -59.3 135.2 57.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.286 0.565 . . . . 1.28 111.616 -176.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -97.04 10.03 40.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.246 -0.888 . . . . 2.76 109.564 176.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.781 ' HA3' ' H21' ' B' ' 2' ' ' ' DG' . . . 74.6 23.28 75.68 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 114.965 -1.016 . . . . 0.31 114.224 177.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.498 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 55.3 p90 -156.01 168.42 27.3 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 117.326 0.563 . . . . 1.11 109.55 175.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.465 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -154.14 -175.29 25.21 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.187 -1.006 . . . . 0.17 112.731 -175.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.603 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 53.7 m-85 -130.9 137.63 49.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.614 0.721 . . . . 0.43 110.929 178.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 55' ' ' PHE . 25.3 t -122.11 122.02 65.48 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 114.569 -1.196 . . . . 1.06 109.013 172.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.9 m -108.37 110.48 22.04 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 107.958 -1.127 . . . . 1.07 107.958 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.571 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.1 mmm -83.17 144.46 29.8 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.714 -0.476 . . . . 1.06 109.714 -176.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.666 ' HZ3' ' HB2' ' A' ' 84' ' ' LYS . 3.8 ttmp? -67.22 -17.82 64.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.453 -0.794 . . . . 2.07 110.175 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.75 146.43 39.51 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.83 -0.623 . . . . 1.02 110.946 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.539 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 71.1 ttt180 -62.76 -42.89 99.89 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.419 -0.809 . . . . 3.61 112.602 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.652 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -64.56 -41.04 96.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.8 0.333 . . . . 1.1 110.896 -175.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 m -62.99 -40.57 98.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.038 -0.528 . . . . 1.04 109.838 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.611 ' HA ' HD12 ' A' ' 37' ' ' ILE . . . -62.85 -41.22 99.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.58 -0.736 . . . . 0.96 111.199 178.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -69.29 -36.76 77.37 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.892 -0.595 . . . . 2.08 111.462 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.652 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 54.7 mtt180 -59.54 -41.83 90.98 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.302 -0.629 . . . . 3.84 109.302 177.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.403 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -62.14 -38.8 90.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.101 -0.954 . . . . 1.03 111.374 177.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 65.9 m -81.3 -10.31 59.59 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 112.355 0.502 . . . . 0.34 112.355 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -73.31 -32.92 64.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.607 0.241 . . . . 3.42 110.756 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -106.78 91.19 5.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.342 -0.984 . . . . 1.12 108.342 171.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.497 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 53.2 Cg_endo -69.68 -4.03 13.15 Favored 'Trans proline' 0 N--CA 1.467 -0.082 0 C-N-CA 123.055 2.504 . . . . 0.57 113.85 -172.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.536 ' HB3' ' HD3' ' A' ' 104' ' ' LYS . 16.2 m120 -127.28 58.64 31.85 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 113.15 0.796 . . . . 0.7 113.15 -175.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 4.3 Cg_exo -74.22 142.79 30.99 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.555 2.17 . . . . 0.81 112.204 177.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.1 mm -81.31 112.13 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 110.057 -0.349 . . . . 1.15 110.057 174.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.6 mt -122.21 120.23 60.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.206 -0.452 . . . . 1.16 110.21 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.2 t70 58.86 39.26 24.12 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 122.04 0.924 . . . . 1.33 110.483 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.0 13.75 80.74 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.202 -0.908 . . . . 0.59 113.272 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.463 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 62.6 ttt180 -134.22 139.88 46.1 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 117.139 0.47 . . . . 2.41 110.901 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.536 ' HD3' ' HB3' ' A' ' 97' ' ' ASN . 24.5 ttmm -74.83 126.9 31.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 2.43 110.172 178.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.512 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -108.56 160.11 16.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.585 -0.734 . . . . 1.04 110.678 -177.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.497 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 89.0 m-20 -110.69 114.93 28.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.994 -0.743 . . . . 1.53 108.994 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.3 t -116.44 131.32 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.278 0.473 . . . . 1.14 112.278 -173.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -155.51 157.69 37.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.68 110.225 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.6 mt -55.78 127.71 31.41 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.651 -0.5 . . . . 1.08 109.651 172.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.6 -31.74 72.94 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.623 0.971 . . . . 1.02 113.623 -166.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.467 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 3.3 p90 -68.15 -14.52 63.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.847 0.356 . . . . 1.01 111.501 -175.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.4 mt -78.21 -8.2 58.04 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.395 0.517 . . . . 1.15 112.395 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -141.64 11.82 2.69 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 120.138 -1.03 . . . . 0.41 112.997 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.93 125.27 29.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.916 0.358 . . . . 1.18 110.95 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.512 ' HE2' ' OP1' ' B' ' 5' ' ' ' DT' . 0.0 OUTLIER -84.52 134.02 43.3 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.48 -0.327 . . . . 2.55 110.546 175.551 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -83.29 35.61 0.58 Allowed 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.825 2.35 . . . . 2.19 112.369 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.422 ' O ' ' HB ' ' A' ' 118' ' ' THR . 17.1 mmm180 -111.22 67.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.313 0.578 . . . . 7.0 110.682 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 117' ' ' ARG . 11.7 t 169.28 174.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.384 -1.339 . . . . 4.62 107.384 178.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -82.42 91.58 6.87 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.264 0.554 . . . . 6.53 110.236 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 23.4 t -89.81 91.35 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.733 -0.667 . . . . 6.0 110.33 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 . . . . . 0 C--O 1.254 1.295 0 CA-C-O 118.381 -0.818 . . . . 8.27 110.769 177.163 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.543 0 O5'-C5'-C4' 111.56 0.972 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.781 ' H21' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.642 0 C3'-C2'-C1' 100.047 -1.895 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.528 ' C6 ' ' OP1' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.433 -0.437 0 O5'-C5'-C4' 112.665 1.76 . . . . 2.38 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.41 -0.797 0 C4'-C3'-C2' 105.072 1.872 . . . . 1.46 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.603 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-N19 108.556 0.945 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . 0.444 ' N7 ' ' HE3' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.43 -0.63 0 O4'-C4'-C3' 106.122 0.522 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.426 ' OP1' ' HD3' ' A' ' 70' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O4'-C1'-N19 108.318 0.647 . . . . 5.88 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 112.372 -0.291 . . . . 7.45 112.372 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.9 174.48 11.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.604 0.24 . . . . 4.68 110.802 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.5 ptp -81.4 -165.88 1.05 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.302 -0.408 . . . . 7.32 110.92 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.44 146.67 43.57 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 121.211 -0.518 . . . . 3.45 112.534 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.3 m -118.51 168.0 11.08 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.895 0.379 . . . . 4.75 110.543 -177.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.564 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 1.4 mmp_? -138.12 -164.72 1.67 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.191 0.52 . . . . 6.08 111.214 -178.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.423 ' H ' ' HB3' ' A' ' 30' ' ' ARG . 4.4 p-10 -63.9 -9.41 15.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.844 -1.071 . . . . 2.39 111.767 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.634 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 6.9 p -95.75 5.14 52.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.074 -0.512 . . . . 1.26 111.932 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.3 ttt -51.7 -53.71 36.19 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.842 0.682 . . . . 1.46 112.842 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -106.45 1.0 25.22 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.072 0.397 . . . . 1.01 112.072 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.575 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 34.0 p -106.06 -17.25 14.39 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.788 -0.365 . . . . 1.06 111.845 -175.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.634 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 84.7 tttt -93.69 113.58 25.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.484 0.659 . . . . 1.86 110.829 -176.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' A' ' 89' ' ' ALA . 63.5 mt -102.03 134.73 41.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.915 -1.039 . . . . 1.09 110.786 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -99.6 124.11 44.5 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.407 -0.59 . . . . 0.36 109.407 174.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.641 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.4 t -106.77 127.02 62.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.484 -0.562 . . . . 1.06 109.484 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.18 161.28 21.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.295 -0.479 . . . . 0.24 112.51 -175.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.23 13.08 83.68 Favored Glycine 0 C--O 1.229 -0.185 0 C-N-CA 121.087 -0.578 . . . . 0.25 112.707 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.8 mt -76.51 138.07 67.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.534 0.207 . . . . 0.96 111.017 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.494 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 9.6 Cg_endo -59.68 142.4 98.7 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.867 1.711 . . . . 0.33 110.269 171.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -58.53 -30.96 67.49 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.419 0.526 . . . . 1.01 112.419 -171.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.425 ' HD2' ' HB2' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -82.65 -3.74 56.72 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.821 0.674 . . . . 3.21 112.821 -176.137 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.2 m -55.08 139.06 42.71 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 117.907 0.321 . . . . 1.13 110.527 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.1 p -111.02 162.48 14.82 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 120.94 0.4 . . . . 0.59 110.794 -177.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.04 -33.58 57.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.445 -0.798 . . . . 0.55 110.269 176.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.616 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 40.2 ttmt -62.11 -44.46 96.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.834 -0.621 . . . . 2.74 110.985 176.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.3 m -61.43 -39.69 91.73 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.214 0.531 . . . . 1.16 110.809 -176.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 48.7 mt -71.28 -39.81 71.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.791 -0.64 . . . . 1.09 109.931 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -55.9 -55.54 31.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.873 -1.058 . . . . 0.93 110.792 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 7.0 mm-40 -60.0 -44.95 94.2 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.931 0.715 . . . . 2.68 112.931 -177.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.05 -52.86 20.63 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.385 -0.526 . . . . 1.38 112.109 -173.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -70.22 -27.75 64.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.508 0.929 . . . . 0.34 113.508 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -68.1 -15.28 63.52 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.378 -0.529 . . . . 1.93 110.881 -177.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -68.95 -10.66 58.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.445 -0.343 . . . . 2.59 111.27 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 72.3 m-85 -91.9 -15.97 27.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.64 -0.255 . . . . 0.36 111.466 177.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.31 -115.31 0.63 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.53 -0.843 . . . . 1.36 112.786 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' HB2' ' HB3' ' A' ' 84' ' ' LYS . 29.4 m-20 -125.96 132.9 51.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.731 -0.276 . . . . 0.69 110.307 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.425 HG12 ' SD ' ' A' ' 83' ' ' MET . 43.1 mt -105.21 140.24 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.168 0.509 . . . . 1.06 112.349 178.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -77.3 -54.55 6.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.129 -0.941 . . . . 1.59 109.545 170.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -155.44 141.99 18.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.299 -1.319 . . . . 2.3 110.11 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.51 115.3 12.13 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.023 -0.362 . . . . 1.04 110.023 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.15 152.66 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.606 0.595 . . . . 1.16 112.606 -174.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.2 t -98.13 135.54 32.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.316 -0.994 . . . . 1.08 108.316 171.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.483 HG12 ' HA2' ' A' ' 79' ' ' GLY . 8.0 mm -83.91 127.7 39.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.679 0.752 . . . . 1.07 112.093 -170.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.574 HG23 ' HA ' ' A' ' 75' ' ' SER . 34.5 p -126.32 147.42 49.73 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 114.487 -1.233 . . . . 1.06 109.29 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.09 132.25 52.35 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.64 110.65 174.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.407 ' HG3' " H4'" ' B' ' 7' ' ' ' DC' . 0.0 OUTLIER -63.68 -21.13 66.22 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.266 0.839 . . . . 6.12 113.266 -176.474 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -90.08 -55.98 3.4 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.748 -0.381 . . . . 2.3 111.867 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.7 p -92.54 -18.65 22.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.949 0.351 . . . . 1.36 111.949 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 68.42 30.69 5.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.313 -0.858 . . . . 2.05 111.03 176.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' HB3' ' O6 ' ' B' ' 1' ' ' ' DG' . 14.6 mmmm -95.95 134.67 38.67 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.211 -0.45 . . . . 2.65 110.008 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.574 ' HA ' HG23 ' A' ' 68' ' ' THR . 38.1 t -59.56 137.27 58.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.244 0.545 . . . . 1.28 111.635 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -96.39 7.98 45.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.52 -0.764 . . . . 2.76 110.746 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.699 ' HA3' ' H21' ' B' ' 2' ' ' ' DG' . . . 74.18 24.62 73.05 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.496 -0.859 . . . . 0.31 113.99 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.641 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 34.7 p90 -158.54 168.47 26.83 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 117.159 0.479 . . . . 1.11 109.942 175.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.483 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -152.8 -175.46 24.32 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.004 -1.093 . . . . 0.17 113.562 -173.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.607 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 52.6 m-85 -132.52 139.87 48.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.421 0.629 . . . . 0.43 111.593 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.9 t -122.0 129.94 74.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 114.703 -1.135 . . . . 1.06 109.747 170.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -105.33 109.6 21.64 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.99 -1.115 . . . . 1.07 107.99 173.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.443 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 95.2 mmm -85.4 150.02 25.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.186 0.517 . . . . 1.06 110.919 -177.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 60' ' ' ASP . 20.1 ttmm -72.71 -18.36 61.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.298 -0.864 . . . . 2.07 110.696 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -146.8 150.95 36.31 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.213 0.53 . . . . 1.02 110.595 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.87 -38.97 83.74 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.258 -0.883 . . . . 3.61 112.402 -177.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.54 -44.39 94.34 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 121.013 -0.275 . . . . 1.1 110.677 -175.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -63.86 -39.73 94.89 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.579 -0.526 . . . . 1.04 109.579 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 37' ' ' ILE . . . -62.5 -42.05 99.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.588 -0.733 . . . . 0.96 111.091 178.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.06 -37.21 75.44 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 120.599 -0.44 . . . . 2.08 111.209 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -60.3 -36.98 79.12 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.373 -0.531 . . . . 3.84 109.83 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.479 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -63.17 -41.67 99.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.875 -0.602 . . . . 1.03 111.312 173.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 61.3 m -82.35 -10.73 58.96 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.933 0.345 . . . . 0.34 111.933 -175.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 94' ' ' LYS . 12.1 tptm -74.37 -28.15 60.99 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.97 0.415 . . . . 3.42 110.161 -174.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -112.07 89.95 12.73 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 107.692 -1.225 . . . . 1.12 107.692 168.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.448 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.1 Cg_endo -69.55 3.62 2.57 Favored 'Trans proline' 0 N--CA 1.466 -0.124 0 C-N-CA 123.046 2.497 . . . . 0.57 114.314 -170.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.673 ' HB3' ' HD2' ' A' ' 104' ' ' LYS . 7.5 m120 -131.34 62.92 67.8 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 113.012 0.745 . . . . 0.7 113.012 -176.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.27 147.3 29.19 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.293 1.995 . . . . 0.81 112.325 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 42.1 mm -83.45 116.87 28.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.93 0.395 . . . . 1.15 110.522 172.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.6 mt -125.84 120.61 57.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.949 -0.568 . . . . 1.16 110.194 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 36.2 t70 59.58 37.38 22.66 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 122.04 0.924 . . . . 1.33 110.414 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.86 5.08 68.63 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.553 -0.749 . . . . 0.59 112.994 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.494 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 24.9 tpt180 -115.82 143.66 45.1 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.903 0.383 . . . . 2.41 110.395 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.673 ' HD2' ' HB3' ' A' ' 97' ' ' ASN . 16.7 tppt? -77.92 119.51 21.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.126 -0.488 . . . . 2.43 109.896 175.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.476 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.05 158.17 17.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.06 0.457 . . . . 1.04 111.573 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 7.4 m-20 -114.39 115.57 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.476 -0.784 . . . . 1.53 109.061 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.429 HG23 HG11 ' A' ' 39' ' ' VAL . 90.7 t -118.27 132.46 68.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 112.428 0.529 . . . . 1.14 112.428 -176.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -152.08 156.25 39.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.577 -0.738 . . . . 0.68 110.079 174.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.8 mt -55.19 130.29 41.56 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.625 -0.509 . . . . 1.08 109.625 172.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.56 -35.9 77.18 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.097 0.777 . . . . 1.02 113.097 -169.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -69.41 -14.92 63.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.893 0.378 . . . . 1.01 110.889 -174.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.6 mt -75.21 -8.8 57.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.065 -0.516 . . . . 1.15 111.801 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.491 ' HA3' ' O4 ' ' B' ' 5' ' ' ' DT' . . . -137.05 13.86 3.82 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.445 -0.883 . . . . 0.41 111.959 -177.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.59 134.67 36.47 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.981 -0.377 . . . . 1.18 109.981 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -81.65 131.24 58.4 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.514 -0.312 . . . . 2.55 110.98 -175.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -83.62 -179.28 4.09 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.898 2.399 . . . . 2.19 112.493 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 57.81 -75.31 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.563 0.745 . . . . 7.0 112.505 -174.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.5 t -84.17 151.53 24.81 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.905 0.383 . . . . 4.62 110.26 -178.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -133.65 158.65 42.69 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.765 -0.828 . . . . 6.53 108.765 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 43.0 t -73.52 87.71 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.43 0.634 . . . . 6.0 110.304 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 . . . . . 0 C--O 1.245 0.857 0 CA-C-N 115.241 -0.89 . . . . 8.27 110.247 -178.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.469 ' O6 ' ' HB3' ' A' ' 74' ' ' LYS . . . . . . . . 0 O5'--C5' 1.431 -0.567 0 O5'-C5'-C4' 112.423 1.588 . . . . 4.71 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.699 ' H21' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.431 -0.589 0 C3'-C2'-C1' 100.775 -1.375 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.612 0 C3'-C2'-C1' 100.173 -1.805 . . . . 2.38 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.513 " H2'" ' N3 ' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.669 0 C1'-O4'-C4' 106.281 -2.442 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.607 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C3'-C2'-C1' 100.311 -1.707 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . 0.503 ' N7 ' ' HE3' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.43 -0.646 0 C5'-C4'-C3' 115.826 0.75 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.407 " H4'" ' HG3' ' A' ' 70' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O4'-C1'-C2' 107.354 1.14 . . . . 5.88 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.921 0 N-CA-C 111.675 -0.57 . . . . 7.45 111.675 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.89 127.98 34.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.957 0.408 . . . . 4.68 111.252 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.2 mtm -127.67 20.17 6.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.867 -0.606 . . . . 7.32 109.921 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.93 33.28 30.22 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.738 . . . . 3.45 112.117 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.4 m -139.38 144.62 38.26 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.72 -0.474 . . . . 4.75 109.72 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.7 7.3 3.51 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.861 0.319 . . . . 6.08 111.861 -176.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.87 -20.28 64.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.329 0.585 . . . . 2.39 110.42 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.625 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 1.2 p -96.07 9.63 40.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.197 -0.91 . . . . 1.26 111.844 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.1 ttt -52.23 -54.66 28.29 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 112.345 0.498 . . . . 1.46 112.345 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.575 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 64.4 m-85 -106.28 -3.35 21.33 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.807 -0.357 . . . . 1.01 111.654 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.625 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 24.0 p -101.7 -23.07 14.29 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.735 -0.386 . . . . 1.06 111.854 -173.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.623 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 58.5 tttm -90.81 113.5 25.66 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.238 0.542 . . . . 1.86 110.308 -177.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 89' ' ' ALA . 71.2 mt -101.51 135.12 39.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.441 -0.8 . . . . 1.09 109.96 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -98.37 127.86 44.5 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.264 -0.643 . . . . 0.36 109.264 174.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.411 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.2 t -110.49 128.03 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 N-CA-C 109.323 -0.621 . . . . 1.06 109.323 177.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.21 161.78 21.34 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.93 -0.577 . . . . 0.24 112.055 -175.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.5 25.34 75.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.821 -0.704 . . . . 0.25 112.565 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.5 mt -79.57 138.71 54.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.826 0.346 . . . . 0.96 110.914 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.496 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 24.0 Cg_endo -64.46 139.54 65.19 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 121.872 1.715 . . . . 0.33 110.037 173.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -63.01 -16.53 60.14 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.123 0.416 . . . . 1.01 112.123 -172.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -76.54 -22.05 54.88 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 111.879 0.326 . . . . 3.21 111.879 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.496 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 55.1 m -57.58 141.77 46.89 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.212 0.449 . . . . 1.13 112.212 -175.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.8 p -112.88 162.03 16.29 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 120.945 0.403 . . . . 0.59 111.116 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.03 -36.02 62.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.69 -0.686 . . . . 0.55 110.109 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -61.81 -42.42 98.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.529 -0.759 . . . . 2.74 110.481 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.51 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 9.6 m -64.86 -37.85 89.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.992 -0.549 . . . . 1.16 111.415 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 mt -70.36 -43.87 69.29 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.346 -0.613 . . . . 1.09 109.346 177.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -56.04 -56.39 21.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.819 -1.082 . . . . 0.93 110.394 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.51 ' OE2' ' HA ' ' A' ' 50' ' ' THR . 7.7 pt-20 -61.36 -40.12 93.15 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.09 0.774 . . . . 2.68 113.09 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -69.98 -52.21 26.14 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.706 -0.398 . . . . 1.38 111.55 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -72.32 -28.72 63.25 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.552 0.945 . . . . 0.34 113.552 -176.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.467 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 12.7 pt-20 -65.93 -18.49 65.38 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.825 -0.35 . . . . 1.93 111.374 -175.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -68.54 -7.0 28.53 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.187 0.44 . . . . 2.59 112.187 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -91.73 -16.11 27.39 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.96 0.409 . . . . 0.36 110.861 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.5 -109.01 0.3 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.893 -0.67 . . . . 1.36 111.779 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -133.61 148.02 51.53 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.902 -0.407 . . . . 0.69 109.902 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.421 HG12 ' SD ' ' A' ' 83' ' ' MET . 33.0 mt -112.77 141.42 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.129 0.49 . . . . 1.06 111.656 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -79.99 -49.61 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.148 -0.933 . . . . 1.59 109.928 173.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -158.25 137.29 11.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.722 -1.127 . . . . 2.3 109.72 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.73 115.78 12.4 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.121 -0.232 . . . . 1.04 110.398 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.1 m -138.42 150.97 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.952 0.406 . . . . 1.16 112.044 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.76 133.91 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 107.622 -1.251 . . . . 1.08 107.622 170.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.771 HG12 ' HA2' ' A' ' 79' ' ' GLY . 26.0 mm -82.93 125.43 40.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-O 121.722 0.772 . . . . 1.07 111.212 -169.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.419 ' HB ' ' C ' ' A' ' 73' ' ' GLN . 53.9 p -120.0 149.19 42.55 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.582 -1.19 . . . . 1.06 108.816 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.27 126.11 23.53 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 110.028 -0.36 . . . . 0.64 110.028 173.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -57.94 -23.34 53.18 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.206 0.447 . . . . 6.12 112.206 -174.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -84.08 -55.21 4.33 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.516 -0.311 . . . . 2.3 111.231 -176.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.5 p -99.69 -14.4 18.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.578 0.584 . . . . 1.36 112.578 -174.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.419 ' C ' ' HB ' ' A' ' 68' ' ' THR . 36.9 mt-30 64.49 30.78 12.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.402 0.62 . . . . 2.05 110.702 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -91.34 134.99 34.13 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.442 -0.799 . . . . 2.65 109.606 175.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.402 ' HA ' HG23 ' A' ' 68' ' ' THR . 4.4 p -59.85 134.87 57.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.331 0.586 . . . . 1.28 111.713 -176.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.405 ' HD3' ' HH ' ' A' ' 78' ' ' TYR . 23.9 mtp85 -96.4 13.44 27.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.878 -0.601 . . . . 2.76 110.656 -178.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.648 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 73.87 16.66 79.29 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.526 -0.761 . . . . 0.31 114.463 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 44.3 p90 -151.76 166.82 30.18 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 117.373 0.586 . . . . 1.11 109.622 176.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.771 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -155.35 -178.62 29.77 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.416 -0.897 . . . . 0.17 113.037 -176.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.651 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 51.8 m-85 -134.19 140.3 46.41 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.649 0.738 . . . . 0.43 112.412 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.7 t -127.2 131.85 70.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 114.27 -1.332 . . . . 1.06 109.661 171.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 m -107.77 110.56 22.41 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.584 -1.265 . . . . 1.07 107.584 171.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.478 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 95.3 mmm -84.28 149.46 26.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.92 0.391 . . . . 1.06 110.103 -177.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -76.08 -18.35 59.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.647 -0.706 . . . . 2.07 110.57 -175.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.59 149.02 40.2 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.078 0.466 . . . . 1.02 111.084 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.575 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 14.8 ttm180 -60.9 -43.59 98.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.63 -0.714 . . . . 3.61 112.507 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.626 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -65.02 -40.97 95.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.477 -0.329 . . . . 1.1 110.875 -174.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.7 m -62.49 -43.97 97.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.29 0.567 . . . . 1.04 109.983 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.497 ' HA ' HD12 ' A' ' 37' ' ' ILE . . . -63.01 -43.66 98.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.17 -0.923 . . . . 0.96 111.154 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -70.24 -35.34 73.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.035 -0.529 . . . . 2.08 111.604 -176.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 27.7 mmm180 -59.15 -42.92 91.83 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.592 -0.522 . . . . 3.84 109.592 175.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.91 -36.57 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.549 -0.751 . . . . 1.03 111.081 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 63.0 m -81.28 -10.11 59.64 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.333 0.494 . . . . 0.34 112.333 -176.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -75.25 -28.69 59.94 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.63 -0.428 . . . . 3.42 110.183 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -108.32 85.45 2.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.687 -0.857 . . . . 1.12 108.687 171.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.5 -9.21 25.61 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 123.25 2.633 . . . . 0.57 114.051 -169.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.637 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 14.8 m120 -132.24 65.4 74.96 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 112.593 0.59 . . . . 0.7 112.593 -173.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -74.83 147.56 34.89 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.869 2.38 . . . . 0.81 111.7 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.9 mm -82.09 111.04 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.929 0.395 . . . . 1.15 110.018 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.2 mt -125.13 120.29 57.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 1.16 110.101 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.2 t0 60.68 34.92 19.92 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 122.087 0.946 . . . . 1.33 110.1 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 82.35 3.44 90.54 Favored Glycine 0 C--N 1.331 0.26 0 CA-C-N 115.077 -0.965 . . . . 0.59 113.495 176.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.429 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 14.7 tpt180 -125.74 137.08 53.8 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.903 0.351 . . . . 2.41 110.676 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.412 ' CG ' ' HB3' ' A' ' 97' ' ' ASN . 22.9 ttmm -74.08 124.66 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.476 -0.564 . . . . 2.43 109.476 173.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.637 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.88 159.42 16.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.159 -0.473 . . . . 1.04 111.076 -173.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -101.95 113.87 27.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.529 -0.915 . . . . 1.53 108.529 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 57.7 t -120.34 128.13 75.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.064 0.459 . . . . 1.14 111.99 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -155.18 154.34 32.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.556 -0.747 . . . . 0.68 109.999 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.3 mt -56.95 130.54 46.42 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.741 -0.466 . . . . 1.08 109.741 172.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.69 -29.24 69.2 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.332 0.864 . . . . 1.02 113.332 -167.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -67.21 -18.35 65.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.985 0.421 . . . . 1.01 111.212 -177.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.405 ' HA ' HD21 ' A' ' 112' ' ' LEU . 80.9 mt -66.94 -19.36 65.71 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 113.086 0.772 . . . . 1.15 113.086 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -147.34 14.81 1.46 Allowed Glycine 0 CA--C 1.52 0.372 0 C-N-CA 119.973 -1.108 . . . . 0.41 112.933 -173.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.27 134.4 37.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.878 0.37 . . . . 1.18 111.298 -174.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.33 128.71 79.76 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.17 -0.468 . . . . 2.55 110.002 177.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.16 52.97 2.83 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 123.429 2.753 . . . . 2.19 113.465 -175.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 57.72 89.2 0.05 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.488 -0.778 . . . . 7.0 112.015 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 119' ' ' ASN . 13.0 p -84.24 -80.41 0.2 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.951 -0.568 . . . . 4.62 109.595 173.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 118' ' ' THR . 65.9 t30 174.56 116.37 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.483 0.489 . . . . 6.53 110.175 170.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 25.5 t -76.97 -74.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.949 -0.389 . . . . 6.0 109.949 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 C--O 1.245 0.862 0 O-C-N 124.073 0.858 . . . . 8.27 111.163 176.069 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.588 0 O5'-C5'-C4' 111.508 0.934 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.648 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.595 0 C3'-C2'-C1' 100.353 -1.677 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.525 ' C6 ' ' OP1' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.565 0 P-O5'-C5' 122.924 1.265 . . . . 2.38 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C4'-C3'-C2' 105.156 1.956 . . . . 1.46 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.651 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.43 -0.625 0 O4'-C1'-N19 108.64 1.05 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . 0.43 ' N7 ' ' HE2' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 O5'-C5'-C4' 111.194 0.71 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.5 ' H6 ' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.68 0 O4'-C1'-N19 108.22 0.525 . . . . 5.88 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.899 0 N-CA-C 112.63 -0.188 . . . . 7.45 112.63 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.61 166.36 22.29 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.56 -0.376 . . . . 4.68 110.92 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.2 ttt -142.31 141.84 32.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.227 -0.442 . . . . 7.32 110.47 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.76 -134.26 1.78 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.889 -0.884 . . . . 3.45 110.889 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.4 m -70.98 129.18 38.35 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.868 -0.419 . . . . 4.75 109.868 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.523 ' H ' ' HD2' ' A' ' 30' ' ' ARG . 2.7 mpt_? -74.23 -37.62 63.75 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.371 0.605 . . . . 6.08 110.297 -176.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -71.82 -11.11 60.65 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.058 -0.974 . . . . 2.39 111.455 -170.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.584 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 11.0 p -101.56 -1.68 32.35 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.85 0.315 . . . . 1.26 111.85 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.3 ttt -52.11 -51.49 57.46 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.226 0.454 . . . . 1.46 112.226 -176.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.44 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 94.7 m-85 -102.86 3.34 36.49 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.791 0.293 . . . . 1.01 111.791 -175.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.584 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 17.0 p -112.94 -13.79 13.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.023 0.379 . . . . 1.06 112.023 -175.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HE2' ' O6 ' ' B' ' 6' ' ' ' DG' . 63.2 tttm -89.06 113.01 24.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.968 0.413 . . . . 1.86 110.382 -178.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 89' ' ' ALA . 60.8 mt -100.05 134.63 38.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.882 -0.599 . . . . 1.09 110.919 -178.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.447 ' HD2' ' CE2' ' A' ' 80' ' ' PHE . 60.8 t80 -101.32 124.6 47.27 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.661 -0.496 . . . . 0.36 109.661 172.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.509 HG11 HG23 ' A' ' 107' ' ' VAL . 7.5 t -109.0 126.84 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 109.348 -0.612 . . . . 1.06 109.348 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.29 158.98 21.28 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 116.113 -0.494 . . . . 0.24 112.414 -172.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.66 20.61 79.82 Favored Glycine 0 C--O 1.229 -0.176 0 C-N-CA 121.051 -0.595 . . . . 0.25 112.611 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.4 mt -74.9 133.19 76.24 Favored Pre-proline 0 C--N 1.323 -0.546 0 C-N-CA 122.293 0.237 . . . . 0.96 111.381 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 10.0 Cg_endo -56.82 139.01 88.0 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.946 1.764 . . . . 0.33 110.691 172.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -60.41 -28.24 68.1 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.798 0.666 . . . . 1.01 112.798 -169.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -83.85 -3.24 57.74 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.482 0.919 . . . . 3.21 113.482 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.46 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 35.7 m -59.46 140.92 55.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.275 0.489 . . . . 1.13 111.383 173.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.5 p -111.7 163.94 13.58 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.119 0.485 . . . . 0.59 110.943 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.47 -35.9 61.06 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.515 -0.766 . . . . 0.55 110.627 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -61.75 -42.4 98.92 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.851 -0.613 . . . . 2.74 110.938 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.6 m -65.68 -37.65 87.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.699 0.285 . . . . 1.16 110.961 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.75 -46.71 68.11 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.224 -0.591 . . . . 1.09 109.659 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -55.8 -55.96 26.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.376 -0.829 . . . . 0.93 111.221 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.695 ' HG3' ' N ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -62.22 -40.37 95.88 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.499 0.555 . . . . 2.68 112.499 -174.396 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.695 ' N ' ' HG3' ' A' ' 53' ' ' GLU . 25.0 t80 -70.44 -52.61 20.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.965 0.412 . . . . 1.38 110.915 -175.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.436 ' HB2' HD12 ' A' ' 61' ' ' ILE . 64.8 m-85 -71.8 -27.03 62.66 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.818 0.673 . . . . 0.34 112.818 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.43 -15.32 63.26 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.378 -0.529 . . . . 1.93 110.954 -176.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -67.29 -10.56 51.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.689 0.28 . . . . 2.59 111.061 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 40.5 m-85 -91.73 -19.36 22.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.458 -0.337 . . . . 0.36 110.87 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.87 -111.79 0.48 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.326 -0.94 . . . . 1.36 112.947 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -125.35 124.3 41.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.802 0.335 . . . . 0.69 111.321 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.436 HD12 ' HB2' ' A' ' 55' ' ' PHE . 34.8 mt -95.91 133.15 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.604 0.716 . . . . 1.06 111.231 173.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -82.37 -43.21 17.68 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.704 -1.135 . . . . 1.59 109.243 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -160.1 136.15 8.62 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.61 -0.723 . . . . 2.3 109.881 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.44 116.78 12.73 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.11 -0.368 . . . . 1.04 110.887 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.1 m -138.22 149.15 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 112.628 0.603 . . . . 1.16 112.628 -178.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.8 t -91.03 134.62 29.11 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.136 0 N-CA-C 108.5 -0.926 . . . . 1.08 108.5 169.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.751 HG12 ' HA2' ' A' ' 79' ' ' GLY . 41.2 mm -90.2 124.13 42.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.661 0.743 . . . . 1.07 111.338 -169.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.669 HG23 ' HA ' ' A' ' 75' ' ' SER . 48.4 p -124.99 154.41 41.28 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 114.862 -1.063 . . . . 1.06 108.665 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -57.42 134.03 55.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.064 0.459 . . . . 0.64 111.579 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -58.34 -26.62 63.32 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.813 -0.631 . . . . 6.12 112.549 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -96.28 -53.39 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.016 0.376 . . . . 2.3 112.016 -175.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.5 p -92.12 -21.18 20.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.158 0.504 . . . . 1.36 111.769 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.451 ' C ' ' HB ' ' A' ' 68' ' ' THR . 84.7 mt-30 68.24 21.77 8.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.974 -1.012 . . . . 2.05 110.467 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -75.04 129.83 38.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.689 -0.856 . . . . 2.65 108.689 175.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.669 ' HA ' HG23 ' A' ' 68' ' ' THR . 8.7 m -56.9 126.18 25.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.117 0.484 . . . . 1.28 110.364 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -86.59 10.68 14.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.332 0.587 . . . . 2.76 110.657 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.16 18.3 79.44 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.438 -0.801 . . . . 0.31 114.191 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.494 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 49.0 p90 -155.22 167.29 30.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 117.331 0.566 . . . . 1.11 110.294 177.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.751 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -150.11 -178.12 24.73 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.882 -0.675 . . . . 0.17 111.913 -177.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.668 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 51.2 m-85 -133.11 138.3 46.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.9 0.857 . . . . 0.43 112.084 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.433 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 24.6 t -125.42 121.48 60.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 114.23 -1.35 . . . . 1.06 109.142 174.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.4 m -107.04 110.87 23.1 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.451 -0.944 . . . . 1.07 108.451 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.641 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.8 mmm -84.55 141.0 31.02 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.233 0.539 . . . . 1.06 110.317 -177.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -68.02 -17.29 64.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.017 -0.992 . . . . 2.07 110.509 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.05 147.66 38.97 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.997 -0.547 . . . . 1.02 109.975 -178.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.44 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 48.4 ttt180 -67.16 -41.58 85.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.625 -0.261 . . . . 3.61 111.703 -176.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.654 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -64.01 -40.7 96.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.753 0.311 . . . . 1.1 110.312 -173.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.6 m -61.88 -43.79 98.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.704 -0.68 . . . . 1.04 109.707 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.641 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.35 -44.0 97.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.443 -0.799 . . . . 0.96 111.218 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -71.43 -33.63 69.58 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.785 -0.643 . . . . 2.08 111.585 -175.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.654 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 30.8 mmt180 -57.95 -43.85 86.65 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.441 -0.577 . . . . 3.84 109.441 173.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -61.38 -37.39 83.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.482 -0.781 . . . . 1.03 111.257 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 66.9 m -80.94 -10.24 59.74 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.143 0.423 . . . . 0.34 112.143 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -65.51 -34.64 78.75 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 122.22 -0.3 . . . . 3.42 110.61 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -110.07 92.78 13.69 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 108.72 -0.844 . . . . 1.12 108.72 171.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.442 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.1 Cg_endo -69.85 -2.65 10.61 Favored 'Trans proline' 0 CA--C 1.521 -0.139 0 C-N-CA 122.742 2.295 . . . . 0.57 113.419 -174.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.668 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 8.9 m120 -130.88 60.0 50.06 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 112.395 0.516 . . . . 0.7 112.395 -177.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 2.9 Cg_exo -73.78 147.53 39.81 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.456 2.104 . . . . 0.81 111.796 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.1 mm -82.17 110.13 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.486 -0.561 . . . . 1.15 109.486 174.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.2 mt -123.32 123.78 68.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.854 -0.612 . . . . 1.16 110.029 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.4 t0 59.23 36.75 23.84 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.886 0.85 . . . . 1.33 109.996 176.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.16 11.53 84.82 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.138 -0.937 . . . . 0.59 113.928 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -134.97 141.44 46.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.029 0.415 . . . . 2.41 111.613 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.534 ' HE3' ' HB3' ' A' ' 97' ' ' ASN . 2.7 ttmp? -70.42 124.41 24.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 2.43 110.072 174.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.668 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -108.23 159.9 16.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.87 -0.605 . . . . 1.04 110.645 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 4.7 m-20 -111.12 115.18 28.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.375 -0.602 . . . . 1.53 109.375 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.509 HG23 HG11 ' A' ' 39' ' ' VAL . 98.0 t -120.54 136.47 57.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 112.265 0.469 . . . . 1.14 112.265 -175.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -153.34 155.55 36.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.583 -0.735 . . . . 0.68 109.574 173.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.4 mt -55.77 127.54 30.6 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.897 0.38 . . . . 1.08 109.989 173.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.16 71.08 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.551 0.945 . . . . 1.02 113.551 -167.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -69.2 -16.93 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.991 0.424 . . . . 1.01 111.134 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 mt -79.88 -6.59 57.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.083 -0.508 . . . . 1.15 111.633 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.574 ' HA3' ' O4 ' ' B' ' 5' ' ' ' DT' . . . -136.86 13.93 3.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.211 -0.995 . . . . 0.41 112.422 -176.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.26 143.11 45.21 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.809 -0.23 . . . . 1.18 110.434 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.6 127.79 91.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.71 0.291 . . . . 2.55 111.407 -176.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.12 14.17 1.82 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.96 2.44 . . . . 2.19 111.653 174.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.465 ' HA ' ' HD2' ' A' ' 117' ' ' ARG . 22.9 tpt180 -150.31 96.9 2.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.968 -1.015 . . . . 7.0 108.643 176.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -136.47 178.38 7.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.042 -0.526 . . . . 4.62 111.141 -175.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.401 ' O ' ' HB ' ' A' ' 120' ' ' VAL . 4.8 t30 -74.7 -31.88 62.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.785 -0.643 . . . . 6.53 109.827 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 119' ' ' ASN . 61.3 t 72.99 144.15 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.345 -0.843 . . . . 6.0 110.032 -173.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 117.818 -1.087 . . . . 8.27 111.129 -177.19 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 O5'-C5'-C4' 111.35 0.822 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.555 0 C3'-C2'-C1' 101.706 -0.71 . . . . 2.8 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.607 0 C3'-C2'-C1' 99.852 -2.034 . . . . 2.38 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C1'-O4'-C4' 105.233 -3.191 . . . . 1.46 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.668 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.43 -0.614 0 C3'-C2'-C1' 100.977 -1.231 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . 0.509 ' O6 ' ' HE2' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.43 -0.632 0 C5'-C4'-C3' 115.899 0.8 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C4'-C3'-C2' 104.038 0.838 . . . . 5.88 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.793 -0.523 . . . . 7.45 111.793 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -152.26 162.24 41.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.783 0.325 . . . . 4.68 110.41 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.4 ptp -161.76 178.06 9.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.904 -0.589 . . . . 7.32 109.465 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 150.19 -162.17 29.14 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.534 -0.841 . . . . 3.45 111.988 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 m -83.89 59.01 4.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.913 0.387 . . . . 4.75 110.273 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' HB2' ' HG3' ' A' ' 33' ' ' MET . 20.4 mmt180 -99.9 111.04 23.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.085 0.469 . . . . 6.08 111.258 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.84 -17.06 60.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.198 -0.91 . . . . 2.39 111.173 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.599 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 0.8 OUTLIER -96.54 3.31 52.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.69 -0.686 . . . . 1.26 112.767 -176.601 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.429 ' HG3' ' HB2' ' A' ' 30' ' ' ARG . 50.0 mtp -53.37 -52.27 59.81 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.211 0.819 . . . . 1.46 113.211 -177.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.438 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 77.0 m-85 -106.74 -1.36 22.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.536 0.607 . . . . 1.01 111.301 -177.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.599 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 32.5 p -102.98 -25.5 13.43 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.138 0.421 . . . . 1.06 112.138 -175.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.56 ' HE2' ' O6 ' ' B' ' 6' ' ' ' DG' . 62.0 tttm -85.94 113.43 22.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.968 0.413 . . . . 1.86 110.421 -176.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 89' ' ' ALA . 63.0 mt -101.5 134.94 40.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.844 -0.616 . . . . 1.09 111.332 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.402 ' HD2' ' CZ ' ' A' ' 80' ' ' PHE . 74.9 t80 -101.04 127.78 47.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.987 -0.552 . . . . 0.36 109.563 174.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.446 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.6 t -114.67 130.51 68.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 110.169 -0.308 . . . . 1.06 110.169 178.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.31 163.05 21.24 Favored Glycine 0 C--O 1.227 -0.327 0 CA-C-N 116.005 -0.543 . . . . 0.24 111.945 -174.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.65 10.37 84.78 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.805 -0.712 . . . . 0.25 112.597 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.8 mt -69.75 132.62 88.83 Favored Pre-proline 0 C--N 1.327 -0.401 0 C-N-CA 122.749 0.42 . . . . 0.96 111.563 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.618 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 10.7 Cg_endo -57.07 139.88 91.16 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.215 1.943 . . . . 0.33 110.213 173.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -62.31 -30.66 71.31 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.288 0.477 . . . . 1.01 112.288 -170.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -77.72 -6.38 53.77 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.433 0.531 . . . . 3.21 112.433 -177.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.436 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 24.6 m -55.8 141.68 37.7 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.704 0.288 . . . . 1.13 111.057 177.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.0 p -111.09 161.34 16.02 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.189 0.519 . . . . 0.59 110.717 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.428 ' OD1' ' HA ' ' A' ' 65' ' ' VAL . 3.1 m-20 -53.51 -33.82 55.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.378 -0.828 . . . . 0.55 110.204 178.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.576 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 27.4 ttpp -61.98 -43.7 98.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.438 -0.801 . . . . 2.74 110.894 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -63.35 -39.04 93.44 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.96 0.409 . . . . 1.16 110.923 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.2 mt -70.45 -43.91 68.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.245 -0.434 . . . . 1.09 110.276 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.456 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 47.7 t-80 -54.3 -55.96 23.16 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.315 -0.857 . . . . 0.93 110.851 176.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 35.3 mm-40 -60.54 -44.29 96.25 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.418 0.525 . . . . 2.68 112.418 -174.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -65.15 -52.64 53.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.934 0.397 . . . . 1.38 111.394 -172.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.493 ' HB2' HD13 ' A' ' 61' ' ' ILE . 84.9 m-85 -72.52 -24.21 61.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.972 -0.558 . . . . 0.34 112.125 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' ' 52' ' ' HIS . 4.2 mm-40 -60.02 -26.58 66.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.203 0.525 . . . . 1.93 111.284 -177.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -72.47 -9.94 59.17 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.189 -0.46 . . . . 2.59 111.617 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.401 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 44.8 m-85 -92.0 -23.48 19.52 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.157 0.503 . . . . 0.36 109.998 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 158.14 -170.91 35.0 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.693 -0.685 . . . . 1.36 111.77 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.498 ' HB3' ' HE3' ' A' ' 84' ' ' LYS . 7.0 m-20 -68.36 128.06 35.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.043 0.449 . . . . 0.69 111.761 -176.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.493 HD13 ' HB2' ' A' ' 55' ' ' PHE . 47.9 mt -98.41 134.96 35.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 115.773 -0.649 . . . . 1.06 110.326 170.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -83.83 -43.93 14.87 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.411 -0.588 . . . . 1.59 109.411 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -151.12 137.4 18.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.584 -0.735 . . . . 2.3 109.872 178.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.489 ' HB3' HG22 ' A' ' 61' ' ' ILE . . . -135.66 115.06 12.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.646 -0.501 . . . . 1.04 109.646 177.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.428 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 17.6 m -138.17 148.16 25.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.027 0.442 . . . . 1.16 112.131 -175.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.5 t -90.45 133.95 30.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 108.24 -1.022 . . . . 1.08 108.24 169.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.884 HG12 ' HA2' ' A' ' 79' ' ' GLY . 39.4 mm -86.01 124.05 39.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.578 0.704 . . . . 1.07 111.042 -169.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.54 HG23 ' HA ' ' A' ' 75' ' ' SER . 20.2 p -122.06 144.94 48.61 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.948 -1.024 . . . . 1.06 109.005 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.49 135.71 56.63 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.902 0.382 . . . . 0.64 111.336 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -60.29 -29.37 68.78 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 112.993 0.738 . . . . 6.12 112.993 -175.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -94.23 -22.6 18.31 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.808 -0.558 . . . . 2.3 112.393 -172.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.5 p -124.17 -23.64 4.5 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.545 0.688 . . . . 1.36 111.133 -170.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 68.43 25.13 6.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 113.818 -1.537 . . . . 2.05 110.01 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 68' ' ' THR . 46.9 mmtm -86.04 150.41 24.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.616 -0.72 . . . . 2.65 109.672 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.54 ' HA ' HG23 ' A' ' 68' ' ' THR . 19.8 m -78.6 121.8 25.11 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.849 -0.426 . . . . 1.28 109.849 -170.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.627 ' HD3' HG23 ' A' ' 67' ' ' ILE . 45.1 mtp85 -86.68 12.06 11.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.871 0.322 . . . . 2.76 111.871 -172.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.71 13.37 83.09 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.95 -0.643 . . . . 0.31 114.592 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 42.5 p90 -154.88 168.26 27.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 117.171 0.486 . . . . 1.11 110.135 177.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.884 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -152.12 -178.76 27.14 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.722 -0.751 . . . . 0.17 112.197 -176.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.638 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 54.3 m-85 -133.72 139.83 46.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.905 0.86 . . . . 0.43 112.067 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.427 HG23 ' CD1' ' A' ' 55' ' ' PHE . 23.5 t -123.61 122.1 64.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 113.868 -1.515 . . . . 1.06 109.068 172.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.2 m -105.36 110.64 23.07 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 107.951 -1.129 . . . . 1.07 107.951 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.636 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 91.2 mmm -83.93 143.02 30.12 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.262 0.553 . . . . 1.06 110.517 -175.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.498 ' HE3' ' HB3' ' A' ' 60' ' ' ASP . 26.8 ttmt -69.98 -18.42 63.34 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.839 -1.073 . . . . 2.07 110.159 -178.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -141.55 148.38 39.24 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.148 0.499 . . . . 1.02 111.552 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.438 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 74.3 ttt180 -60.98 -43.12 99.27 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.334 -0.848 . . . . 3.61 112.914 -178.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -66.69 -41.78 87.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.875 0.369 . . . . 1.1 110.926 -173.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.9 m -62.86 -41.33 99.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.058 -0.519 . . . . 1.04 110.1 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.636 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.83 -41.59 99.39 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.405 -0.816 . . . . 0.96 111.057 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.08 -39.79 78.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.052 -0.522 . . . . 2.08 110.935 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 31.0 mmm180 -58.53 -41.84 86.43 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.064 0.459 . . . . 3.84 109.952 178.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.401 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -60.09 -40.97 91.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.358 -0.837 . . . . 1.03 111.551 176.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 62.3 m -82.19 -10.17 59.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.751 0.649 . . . . 0.34 112.751 -175.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -64.94 -39.22 93.17 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 122.236 -0.29 . . . . 3.42 110.618 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -107.84 98.14 23.92 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 108.416 -0.957 . . . . 1.12 108.416 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.41 -5.48 16.1 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 123.306 2.671 . . . . 0.57 114.614 -169.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.569 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 9.3 m120 -134.95 66.37 68.04 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 112.409 0.522 . . . . 0.7 112.409 -175.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.0 145.08 35.13 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.956 1.771 . . . . 0.81 111.414 174.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.8 mm -85.39 111.74 21.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.895 -0.409 . . . . 1.15 109.895 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.3 mt -120.0 121.02 64.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.784 -0.643 . . . . 1.16 109.865 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.5 t70 59.66 34.76 22.25 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.884 0.85 . . . . 1.33 109.979 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.38 5.93 78.86 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.474 -0.785 . . . . 0.59 112.711 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.618 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 30.7 tpt180 -114.93 139.99 49.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.834 0.349 . . . . 2.41 111.031 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.465 ' HZ3' ' HB2' ' A' ' 104' ' ' LYS . 3.1 ttmp? -74.83 120.13 19.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.616 -0.513 . . . . 2.43 109.616 173.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.569 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.57 157.84 17.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.649 0.262 . . . . 1.04 110.64 177.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -105.35 114.2 28.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.959 -0.756 . . . . 1.53 108.959 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.422 HG21 HG11 ' A' ' 39' ' ' VAL . 47.8 t -118.03 128.15 75.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.935 0.398 . . . . 1.14 111.86 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -157.18 156.43 32.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.56 -0.745 . . . . 0.68 109.898 175.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.1 mt -55.95 127.41 30.24 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.778 -0.453 . . . . 1.08 109.778 173.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.92 -28.2 69.37 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.264 0.839 . . . . 1.02 113.264 -167.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -14.93 63.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.783 0.325 . . . . 1.01 111.304 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.404 HD21 ' HA ' ' A' ' 112' ' ' LEU . 88.2 mt -72.41 -7.94 52.37 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.474 0.546 . . . . 1.15 112.474 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.14 14.68 1.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.23 -0.986 . . . . 0.41 112.562 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.04 131.46 37.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.946 0.403 . . . . 1.18 111.404 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -79.25 135.39 57.85 Favored Pre-proline 0 C--O 1.235 0.339 0 CA-C-N 115.958 -0.565 . . . . 2.55 110.812 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.74 39.52 0.64 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.333 2.688 . . . . 2.19 113.235 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 117' ' ' ARG . 9.2 tpt180 -98.18 -12.19 21.96 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.434 -0.95 . . . . 7.0 108.434 175.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.6 m 70.77 100.98 0.06 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 114.698 -1.137 . . . . 4.62 110.532 -176.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.518 ' HA ' ' H5 ' ' B' ' 7' ' ' ' DC' . 25.8 p-10 -85.05 170.06 13.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.625 -0.509 . . . . 6.53 109.625 178.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.427 ' HB ' ' O ' ' A' ' 119' ' ' ASN . 82.8 t 72.95 114.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.213 0 O-C-N 123.904 0.753 . . . . 6.0 109.569 -170.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.406 ' HB3' ' C2 ' ' B' ' 7' ' ' ' DC' . 18.9 pt20 . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.725 -0.655 . . . . 8.27 111.166 -174.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.623 0 O5'-C5'-C4' 111.372 0.837 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.442 " H4'" " H5'" ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.62 0 C3'-C2'-C1' 101.033 -1.19 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.757 " H1'" " O4'" ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-N19 108.482 0.852 . . . . 2.38 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.757 " O4'" " H1'" ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 P-O3'-C3' 121.201 1.251 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.638 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 C3'-C2'-C1' 101.084 -1.154 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . 0.56 ' O6 ' ' HE2' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 O4'-C1'-N19 107.087 -0.891 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.518 ' H5 ' ' HA ' ' A' ' 119' ' ' ASN . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 105.355 1.897 . . . . 5.88 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.801 0 N-CA-C 112.071 -0.412 . . . . 7.45 112.071 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.417 ' HB3' HG21 ' A' ' 118' ' ' THR . . . 66.57 78.39 0.26 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.334 0.588 . . . . 4.68 110.68 -178.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 55.6 mtt -106.85 -51.44 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.679 -0.692 . . . . 7.32 110.6 -176.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.22 -116.15 8.95 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.766 -0.73 . . . . 3.45 111.732 -177.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.532 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 48.7 m 58.61 33.86 23.41 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.094 0.473 . . . . 4.75 111.624 176.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -169.36 2.61 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.032 -0.531 . . . . 6.08 111.7 177.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -59.59 -18.45 41.28 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.36 0.874 . . . . 2.39 113.36 -168.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.653 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 25.8 p -96.0 10.37 37.64 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 112.259 0.466 . . . . 1.26 112.259 -171.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.532 ' SD ' ' HA ' ' A' ' 29' ' ' SER . 17.6 mtp -54.53 -51.85 63.86 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.889 0.7 . . . . 1.46 112.889 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.95 -3.57 21.59 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 118.12 0.418 . . . . 1.01 111.363 -174.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.45 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 13.9 p -106.01 -19.62 13.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.578 -0.283 . . . . 1.06 111.642 -174.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.653 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 60.0 tttm -90.88 113.17 25.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.372 0.606 . . . . 1.86 109.974 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.545 HD12 ' HA ' ' A' ' 89' ' ' ALA . 61.3 mt -98.08 131.52 44.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.39 -0.823 . . . . 1.09 110.1 -178.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.423 ' HD2' ' CE2' ' A' ' 80' ' ' PHE . 59.5 t80 -101.97 122.27 43.74 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.259 -0.645 . . . . 0.36 109.259 173.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.659 HG11 HG23 ' A' ' 107' ' ' VAL . 4.3 t -106.33 130.33 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 109.14 -0.689 . . . . 1.06 109.14 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.45 148.02 17.0 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 121.004 -0.617 . . . . 0.24 111.991 -173.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.1 16.28 76.98 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.844 -0.693 . . . . 0.25 112.216 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.49 129.8 94.14 Favored Pre-proline 0 CA--C 1.513 -0.472 0 CA-C-O 120.787 0.327 . . . . 0.96 110.929 178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 18.5 Cg_endo -59.07 138.91 88.18 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 122.063 1.842 . . . . 0.33 109.784 174.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -58.88 -20.88 55.29 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.694 0.627 . . . . 1.01 112.694 -171.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 21.9 p80 -77.86 -15.26 59.18 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.801 0.667 . . . . 3.21 112.801 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.578 ' HA ' ' OD2' ' A' ' 101' ' ' ASP . 98.6 m -55.09 138.85 43.32 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.156 0.428 . . . . 1.13 112.156 177.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.1 p -117.18 165.78 13.02 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.113 0.482 . . . . 0.59 110.938 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.519 ' OD1' ' HA ' ' A' ' 65' ' ' VAL . 5.9 m-20 -53.28 -35.26 59.89 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.739 -0.664 . . . . 0.55 110.716 176.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.649 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 38.1 ttpt -66.67 -36.68 83.11 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.804 -0.635 . . . . 2.74 110.546 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.427 HG22 ' OD2' ' A' ' 101' ' ' ASP . 23.0 m -62.05 -40.7 96.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.084 0.468 . . . . 1.16 110.248 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.3 mt -70.26 -40.38 74.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.948 -0.569 . . . . 1.09 109.864 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 51.2 t-80 -56.63 -57.32 12.91 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.355 -0.839 . . . . 0.93 111.117 176.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.649 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 15.9 mm-40 -60.26 -46.27 90.41 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.337 0.495 . . . . 2.68 112.337 -176.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.483 ' HA ' HE21 ' A' ' 57' ' ' GLN . 83.7 t80 -70.59 -54.72 10.93 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.308 -0.557 . . . . 1.38 111.677 -172.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.463 ' HB2' HD12 ' A' ' 61' ' ' ILE . 65.4 m-85 -71.33 -28.27 63.97 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.59 0.959 . . . . 0.34 113.59 -174.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 52' ' ' HIS . 10.1 pt-20 -72.57 -12.56 61.11 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 119.471 -0.891 . . . . 1.93 111.189 -175.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.483 HE21 ' HA ' ' A' ' 54' ' ' TYR . 48.3 mt-30 -67.7 -8.06 32.13 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.774 0.321 . . . . 2.59 110.933 176.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.428 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 45.3 m-85 -93.43 -16.68 24.31 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.952 0.406 . . . . 0.36 111.028 177.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.96 -109.99 0.38 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.875 -0.679 . . . . 1.36 112.35 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -126.24 132.71 51.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.616 0.246 . . . . 0.69 111.249 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.463 HD12 ' HB2' ' A' ' 55' ' ' PHE . 37.4 mt -103.39 135.05 42.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.806 0.336 . . . . 1.06 110.656 171.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -86.05 -38.36 17.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.756 -0.656 . . . . 1.59 110.584 172.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -155.46 134.59 12.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.803 -0.635 . . . . 2.3 109.783 -174.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.41 116.43 13.31 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.247 -0.279 . . . . 1.04 110.247 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.519 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 25.4 m -136.31 141.93 39.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.863 0.363 . . . . 1.16 111.525 -175.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.5 t -96.28 134.26 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.875 -1.157 . . . . 1.08 107.875 169.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.919 HG12 ' HA2' ' A' ' 79' ' ' GLY . 31.0 mm -86.39 124.37 40.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.724 0.773 . . . . 1.07 111.156 -169.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.576 HG23 ' HA ' ' A' ' 75' ' ' SER . 41.4 p -120.92 146.21 46.87 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.622 -1.172 . . . . 1.06 108.633 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -56.66 130.89 47.26 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.711 -0.396 . . . . 0.64 111.112 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.462 ' HG2' " H2'" ' B' ' 7' ' ' ' DC' . 0.0 OUTLIER -64.22 -16.24 61.59 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.286 1.217 . . . . 6.12 114.286 -174.227 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -92.12 -52.07 4.88 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.579 0.627 . . . . 2.3 111.625 178.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.0 p -90.22 -21.12 22.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.35 -0.387 . . . . 1.36 112.027 -174.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 66.55 30.76 8.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.297 -0.865 . . . . 2.05 110.144 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -104.42 141.19 36.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.721 -0.672 . . . . 2.65 109.54 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.576 ' HA ' HG23 ' A' ' 68' ' ' THR . 3.4 p -60.44 133.97 56.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.205 0.526 . . . . 1.28 112.018 -174.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.828 ' HD3' ' HH ' ' A' ' 78' ' ' TYR . 32.0 mtt180 -94.66 13.28 24.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.588 -0.733 . . . . 2.76 111.571 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.462 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 74.02 14.01 80.59 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 115.753 -0.658 . . . . 0.31 114.368 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.828 ' HH ' ' HD3' ' A' ' 76' ' ' ARG . 34.6 p90 -151.31 168.26 25.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 117.52 0.66 . . . . 1.11 110.34 177.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.919 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -160.05 -176.89 32.63 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.712 -0.756 . . . . 0.17 113.01 -176.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.686 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 50.0 m-85 -135.9 139.37 43.27 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.753 0.787 . . . . 0.43 112.208 -176.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 64.6 t -124.28 133.37 69.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.387 -1.279 . . . . 1.06 109.823 171.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -107.63 107.78 18.75 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 107.865 -1.161 . . . . 1.07 107.865 171.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.584 ' SD ' ' HA ' ' A' ' 89' ' ' ALA . 18.7 mtp -88.17 149.53 23.83 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.294 -0.562 . . . . 1.06 109.85 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -71.75 -17.54 62.19 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.299 -0.864 . . . . 2.07 111.24 -173.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -143.46 149.74 38.01 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.1 0.476 . . . . 1.02 110.605 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -60.51 -41.58 94.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.484 -0.78 . . . . 3.61 111.788 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.672 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -63.46 -41.54 98.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.758 0.313 . . . . 1.1 110.967 -175.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 m -63.88 -44.32 93.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.97 0.414 . . . . 1.04 109.915 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.584 ' HA ' ' SD ' ' A' ' 83' ' ' MET . . . -63.58 -42.66 98.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.521 -0.763 . . . . 0.96 111.015 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -69.45 -39.12 77.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.817 -0.629 . . . . 2.08 111.602 -175.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 21.6 mmm180 -64.48 -37.66 88.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.47 -0.492 . . . . 3.84 109.679 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.428 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -62.87 -39.45 94.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.79 -0.641 . . . . 1.03 110.886 175.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 67.9 m -83.09 -9.63 59.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.34 112.009 -177.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -64.67 -31.37 72.56 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 121.109 -0.236 . . . . 3.42 111.442 -172.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -113.32 103.36 55.52 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 107.683 -1.228 . . . . 1.12 107.683 170.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.478 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 54.1 Cg_endo -68.9 7.25 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.865 2.377 . . . . 0.57 114.02 -171.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.736 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 9.6 m120 -132.79 60.24 48.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 112.763 0.653 . . . . 0.7 112.763 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.13 149.28 35.96 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.375 2.05 . . . . 0.81 112.342 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.2 mm -81.68 111.62 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.442 -0.344 . . . . 1.15 110.42 174.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.4 mt -125.51 121.46 60.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.377 -0.374 . . . . 1.16 110.218 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.578 ' OD2' ' HA ' ' A' ' 46' ' ' THR . 0.2 OUTLIER 58.54 40.84 23.36 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.804 -0.635 . . . . 1.33 111.202 179.285 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.88 13.58 80.65 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 115.669 -0.696 . . . . 0.59 113.81 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -133.45 133.94 42.92 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.513 -0.404 . . . . 2.41 110.563 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -73.1 123.48 23.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.309 -0.626 . . . . 2.43 109.309 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.736 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -108.6 161.28 15.22 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.828 -0.624 . . . . 1.04 111.148 -173.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.478 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 5.5 m-20 -106.05 113.48 27.04 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.752 -0.833 . . . . 1.53 108.752 176.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.659 HG23 HG11 ' A' ' 39' ' ' VAL . 43.8 t -125.41 142.37 42.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.183 0.516 . . . . 1.14 112.375 -173.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.445 ' C ' HD21 ' A' ' 108' ' ' ASN . 0.3 OUTLIER -157.55 158.15 35.11 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.376 -0.829 . . . . 0.68 109.785 173.341 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.15 127.31 28.59 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 109.485 -0.561 . . . . 1.08 109.485 173.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.77 -31.01 66.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.873 1.064 . . . . 1.02 113.873 -167.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -68.27 -18.82 64.63 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.858 -0.337 . . . . 1.01 111.643 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.1 mt -73.98 -8.16 55.09 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.702 0.63 . . . . 1.15 112.702 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -150.95 13.38 0.85 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.452 -0.88 . . . . 0.41 111.95 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.17 131.88 45.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.007 0.432 . . . . 1.18 111.304 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -80.29 148.47 67.07 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.745 -0.661 . . . . 2.55 110.394 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.96 123.71 13.79 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.689 2.259 . . . . 2.19 112.169 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -119.15 81.4 1.7 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.848 -0.615 . . . . 7.0 109.969 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.417 HG21 ' HB3' ' A' ' 26' ' ' ALA . 1.9 p -87.44 97.57 10.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.634 -0.712 . . . . 4.62 110.754 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 67.91 95.69 0.06 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.535 0.683 . . . . 6.53 111.185 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 59.3 t -82.88 106.59 13.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.526 -0.761 . . . . 6.0 110.367 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 C--O 1.252 1.186 0 CA-C-N 115.768 -0.651 . . . . 8.27 110.381 177.912 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O5'-C5'-C4' 111.387 0.848 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.462 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.645 0 P-O3'-C3' 120.947 1.039 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.709 0 C3'-C2'-C1' 101.043 -1.184 . . . . 2.38 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 C4'-C3'-C2' 105.029 1.829 . . . . 1.46 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.686 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 C3'-C2'-C1' 100.942 -1.255 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . 0.454 ' N7 ' ' HE2' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.43 -0.613 0 C5'-C4'-C3' 115.912 0.808 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.462 " H2'" ' HG2' ' A' ' 70' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-C2' 106.793 0.63 . . . . 5.88 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.524 -0.63 . . . . 7.45 111.524 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.49 -41.28 72.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 117.142 0.471 . . . . 4.68 111.481 -178.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.74 ' HG2' ' H ' ' A' ' 28' ' ' GLY . 36.0 ttm -145.42 -163.19 1.66 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.303 -0.629 . . . . 7.32 109.303 -179.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.74 ' H ' ' HG2' ' A' ' 27' ' ' MET . . . -73.59 10.27 6.96 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.353 -0.451 . . . . 3.45 113.76 -174.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -79.52 35.42 0.29 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.292 0.567 . . . . 4.75 110.903 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.692 ' HA ' ' HG3' ' A' ' 33' ' ' MET . 1.6 tmt_? -76.77 -26.05 54.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.797 -0.638 . . . . 6.08 110.52 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.11 -28.55 69.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.836 0.826 . . . . 2.39 109.705 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.919 HG23 ' HB2' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -96.89 4.35 51.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.489 -1.232 . . . . 1.26 112.807 177.699 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.692 ' HG3' ' HA ' ' A' ' 30' ' ' ARG . 12.6 mtp -54.25 -50.35 67.4 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 113.599 0.963 . . . . 1.46 113.599 -173.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -104.27 -0.82 27.86 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.878 -0.513 . . . . 1.01 110.635 -172.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.0 p -107.67 -17.51 14.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.153 -0.476 . . . . 1.06 111.345 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.919 ' HB2' HG23 ' A' ' 32' ' ' THR . 86.8 tttt -91.4 113.77 26.12 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.281 0.562 . . . . 1.86 110.761 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 89' ' ' ALA . 70.5 mt -101.24 134.48 41.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.4 -0.818 . . . . 1.09 110.138 178.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -98.02 125.08 42.81 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.104 -0.702 . . . . 0.36 109.104 174.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 t -106.34 125.84 62.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.714 -0.476 . . . . 1.06 109.714 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.69 150.19 17.79 Favored Glycine 0 N--CA 1.445 -0.719 0 CA-C-N 115.668 -0.696 . . . . 0.24 111.814 -174.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.6 ' HA2' ' O4 ' ' B' ' 3' ' ' ' DT' . . . 88.62 11.8 65.52 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.401 -0.904 . . . . 0.25 112.522 178.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.3 mt -73.24 138.03 78.59 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-O 120.98 0.419 . . . . 0.96 111.909 -175.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.473 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 36.9 Cg_endo -69.24 147.75 66.92 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.102 1.868 . . . . 0.33 110.271 172.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -64.48 -16.67 62.88 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.814 0.302 . . . . 1.01 111.814 -174.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -77.75 -21.21 52.12 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.884 0.327 . . . . 3.21 111.884 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.3 m -56.06 134.0 52.29 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 120.836 0.351 . . . . 1.13 111.535 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.7 p -111.31 163.67 13.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.59 110.184 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.57 -35.86 61.26 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.923 -0.581 . . . . 0.55 110.526 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -67.3 -37.57 83.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.713 -0.676 . . . . 2.74 110.623 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.9 m -63.71 -41.57 98.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 1.16 111.06 -178.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.6 mt -70.49 -42.98 70.65 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.381 -0.6 . . . . 1.09 109.381 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -56.19 -56.01 26.15 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.227 -0.897 . . . . 0.93 110.204 176.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.657 ' HA ' ' OE2' ' A' ' 56' ' ' GLU . 2.0 pt-20 -61.37 -37.32 82.95 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.617 0.599 . . . . 2.68 112.617 -176.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -70.9 -53.92 13.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.069 0.461 . . . . 1.38 110.91 -177.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.412 ' HB2' HD12 ' A' ' 61' ' ' ILE . 68.8 m-85 -73.04 -27.91 62.03 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.021 0.748 . . . . 0.34 113.021 -177.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.657 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 11.8 pt-20 -64.51 -18.32 64.7 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.75 -0.38 . . . . 1.93 111.091 -175.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -66.96 -8.09 27.06 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.97 0.359 . . . . 2.59 111.97 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -92.11 -9.15 43.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.511 0.196 . . . . 0.36 111.164 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.22 -104.82 0.26 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.71 -0.757 . . . . 1.36 112.508 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.601 ' HB3' ' HE3' ' A' ' 84' ' ' LYS . 5.0 m-20 -130.08 139.42 50.95 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.819 0.342 . . . . 0.69 111.34 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.454 HG12 ' SD ' ' A' ' 83' ' ' MET . 43.4 mt -111.77 136.64 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.055 -0.52 . . . . 1.06 110.547 174.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -80.66 -43.99 19.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.281 0.563 . . . . 1.59 109.63 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -160.39 140.14 11.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 114.924 -1.034 . . . . 2.3 109.89 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.427 ' HB3' HG22 ' A' ' 61' ' ' ILE . . . -136.39 118.13 15.06 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.182 -0.303 . . . . 1.04 110.182 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.8 m -136.59 146.14 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.119 0.485 . . . . 1.16 111.904 -175.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.4 t -94.25 134.09 32.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 107.352 -1.351 . . . . 1.08 107.352 168.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.807 HG12 ' HA2' ' A' ' 79' ' ' GLY . 26.8 mm -85.29 126.26 40.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.57 0.7 . . . . 1.07 110.926 -168.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.498 HG23 ' HA ' ' A' ' 75' ' ' SER . 41.2 p -120.91 150.11 41.58 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 114.788 -1.096 . . . . 1.06 108.431 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -55.89 129.4 39.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.886 0.374 . . . . 0.64 111.403 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -58.93 -21.8 58.71 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.832 0.679 . . . . 6.12 112.832 -175.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -95.19 -54.93 3.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.796 0.332 . . . . 2.3 111.685 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.4 p -92.84 -18.6 22.65 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.175 0.435 . . . . 1.36 112.175 -173.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.402 ' C ' ' HB ' ' A' ' 68' ' ' THR . 25.1 mt-30 68.03 26.38 7.32 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.224 -0.898 . . . . 2.05 110.892 178.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -86.09 134.12 33.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.332 -0.849 . . . . 2.65 109.621 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.498 ' HA ' HG23 ' A' ' 68' ' ' THR . 6.6 m -58.85 127.92 34.62 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.143 0.277 . . . . 1.28 110.932 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -92.35 13.25 19.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.328 0.585 . . . . 2.76 111.28 -176.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.571 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 73.87 11.75 81.05 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.662 -0.78 . . . . 0.31 114.714 177.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -146.9 168.08 22.35 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 117.334 0.567 . . . . 1.11 109.631 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.807 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -156.83 -179.07 31.51 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.239 -0.982 . . . . 0.17 112.746 -176.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.67 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 60.3 m-85 -132.49 138.16 47.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.745 0.784 . . . . 0.43 111.703 -179.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.3 t -121.28 124.38 71.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 114.657 -1.156 . . . . 1.06 109.423 172.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.4 m -106.8 109.71 21.68 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 107.672 -1.233 . . . . 1.07 107.672 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.506 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.8 mmm -83.43 146.5 28.39 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.456 -0.572 . . . . 1.06 109.456 -176.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.601 ' HE3' ' HB3' ' A' ' 60' ' ' ASP . 36.8 ttmt -70.55 -18.38 62.92 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.23 -0.895 . . . . 2.07 109.867 -177.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.86 146.57 37.7 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.398 0.618 . . . . 1.02 111.182 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -64.03 -43.21 96.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.1 -0.954 . . . . 3.61 113.065 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -63.28 -40.24 96.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.993 0.425 . . . . 1.1 110.626 -177.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.3 m -62.47 -43.2 99.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.672 -0.695 . . . . 1.04 110.186 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.534 ' HA ' HD12 ' A' ' 37' ' ' ILE . . . -63.65 -39.22 93.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.353 -0.84 . . . . 0.96 111.266 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -67.98 -39.49 83.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.042 -0.526 . . . . 2.08 110.74 -177.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 18.8 mmt180 -60.53 -39.19 86.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.949 0.404 . . . . 3.84 110.299 179.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.24 99.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.696 -0.684 . . . . 1.03 111.406 175.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 57.6 m -81.23 -14.84 57.07 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.179 0.437 . . . . 0.34 112.179 -175.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -65.87 -35.28 80.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.7 0.286 . . . . 3.42 110.557 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -107.92 96.45 17.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.601 -0.888 . . . . 1.12 108.601 172.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.481 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.4 Cg_endo -69.92 -4.08 13.42 Favored 'Trans proline' 0 N--CA 1.467 -0.071 0 C-N-CA 123.086 2.524 . . . . 0.57 114.823 -168.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.449 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 13.4 m120 -126.64 62.53 49.8 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.671 0.619 . . . . 0.7 112.671 -175.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -75.46 142.35 26.41 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.103 1.869 . . . . 0.81 112.016 175.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 49.8 mm -84.76 111.05 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.445 -0.343 . . . . 1.15 110.109 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.6 mt -122.79 121.57 63.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.058 -0.519 . . . . 1.16 110.1 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.9 t70 60.62 32.67 20.39 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.835 0.826 . . . . 1.33 109.825 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.08 4.21 88.69 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 115.414 -0.812 . . . . 0.59 112.913 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.473 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 20.3 tpt180 -116.51 138.69 51.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.604 0.24 . . . . 2.41 110.954 -178.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -83.24 120.09 25.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.166 0.508 . . . . 2.43 110.074 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.449 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.18 161.2 14.98 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.174 -0.921 . . . . 1.04 111.456 -175.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 59.4 m-20 -107.17 115.46 30.21 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.269 -1.011 . . . . 1.53 108.269 175.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.8 t -113.7 126.18 71.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.003 0.43 . . . . 1.14 112.009 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -154.57 155.23 34.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.529 -0.759 . . . . 0.68 109.818 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.8 mt -55.31 130.47 42.51 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 110.06 -0.348 . . . . 1.08 110.06 174.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.07 -33.7 73.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.677 0.621 . . . . 1.02 112.677 -169.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -70.38 -16.4 62.96 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.849 -0.34 . . . . 1.01 110.976 -175.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.89 -17.25 63.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.182 -0.463 . . . . 1.15 111.94 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -139.86 14.79 3.1 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 111.104 -0.798 . . . . 0.41 111.104 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.91 134.23 50.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.363 -0.419 . . . . 1.18 110.521 -176.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -81.57 128.76 68.39 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.695 -0.684 . . . . 2.55 111.154 -175.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.65 20.69 0.94 Allowed 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.997 2.464 . . . . 2.19 111.878 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.22 119.71 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.582 -0.735 . . . . 7.0 109.456 178.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.7 t -151.6 -167.26 2.74 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.998 -0.741 . . . . 4.62 108.998 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -58.95 -71.41 0.12 Allowed 'General case' 0 C--N 1.331 -0.239 0 O-C-N 123.281 0.363 . . . . 6.53 111.154 -178.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.436 HG13 ' HG2' ' A' ' 121' ' ' GLN . 64.0 t 68.52 -63.66 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 122.982 0.513 . . . . 6.0 111.15 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.436 ' HG2' HG13 ' A' ' 120' ' ' VAL . 81.6 mm-40 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.449 -0.786 . . . . 8.27 109.633 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.412 HO5' " H2'" ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.636 0 O5'-C5'-C4' 111.669 1.049 . . . . 4.71 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.571 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-N19 109.261 1.826 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.6 ' O4 ' ' HA2' ' A' ' 41' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.625 0 O4'-C1'-N19 106.717 -1.354 . . . . 2.38 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.599 " H1'" ' O2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 C4'-C3'-C2' 105.462 2.262 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.67 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C1'-N19 109.194 1.743 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . 0.581 ' N7 ' ' HE3' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.432 -0.524 0 O5'-C5'-C4' 111.567 0.977 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-C2' 107.475 1.25 . . . . 5.88 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.851 0 N-CA-C 112.595 -0.202 . . . . 7.45 112.595 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -163.45 104.31 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.202 -0.295 . . . . 4.68 110.202 -179.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 79.1 mtp -88.86 -61.88 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.073 0.464 . . . . 7.32 111.483 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.77 -179.91 19.79 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 110.104 -1.198 . . . . 3.45 110.104 -169.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 p 42.94 48.78 5.14 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.272 0.629 . . . . 4.75 111.616 -178.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.474 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 19.8 mmt180 -107.81 166.78 10.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.605 -0.725 . . . . 6.08 110.79 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -59.53 -27.7 66.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.6 -0.727 . . . . 2.39 110.969 -174.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.572 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 37.1 p -102.04 -2.32 29.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.633 -0.712 . . . . 1.26 112.477 -177.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 27.4 ttt -52.98 -52.86 56.84 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.79 0.663 . . . . 1.46 112.79 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.515 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 99.0 m-85 -102.74 -0.18 31.98 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.7 -0.4 . . . . 1.01 111.412 -176.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.464 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 40.8 p -109.85 -21.67 12.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.104 0.409 . . . . 1.06 112.104 -174.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HE3' ' N7 ' ' B' ' 6' ' ' ' DG' . 86.4 tttt -85.27 113.69 21.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.162 0.506 . . . . 1.86 110.523 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 89' ' ' ALA . 67.4 mt -103.36 134.75 43.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.473 -0.785 . . . . 1.09 110.654 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -99.41 126.29 45.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.57 -0.53 . . . . 0.36 109.57 174.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.488 HG11 HG23 ' A' ' 107' ' ' VAL . 5.0 t -109.41 130.32 62.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.253 -0.431 . . . . 1.06 109.985 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.41 159.35 21.39 Favored Glycine 0 C--O 1.226 -0.406 0 CA-C-N 116.047 -0.524 . . . . 0.24 112.131 -174.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.2 11.39 84.95 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.964 -0.636 . . . . 0.25 112.761 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.1 mt -68.29 135.56 91.19 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 120.69 0.281 . . . . 0.96 111.158 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.522 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 20.5 Cg_endo -63.1 148.19 93.53 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 121.768 1.646 . . . . 0.33 110.312 174.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -65.66 -26.23 67.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.785 0.326 . . . . 1.01 111.184 -171.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 9.6 p80 -78.69 -12.48 60.02 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.867 0.692 . . . . 3.21 112.867 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.495 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 95.0 m -56.33 139.23 49.09 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.074 0.397 . . . . 1.13 111.864 175.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.2 p -111.75 163.0 14.64 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 116.332 -0.394 . . . . 0.59 111.132 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.51 -36.22 61.5 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.556 -0.747 . . . . 0.55 110.712 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -67.34 -35.74 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.871 -0.604 . . . . 2.74 110.876 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.525 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 8.3 m -65.81 -39.09 90.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 1.16 110.989 178.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.8 mt -70.57 -41.32 72.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.411 0.624 . . . . 1.09 109.401 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -54.9 -55.42 30.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.379 -1.282 . . . . 0.93 110.119 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 50' ' ' THR . 8.9 pt-20 -59.57 -42.53 92.7 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.683 0.623 . . . . 2.68 112.683 -175.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.458 ' OH ' ' HB3' ' A' ' 98' ' ' PRO . 64.1 t80 -70.19 -53.17 18.28 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.68 -0.408 . . . . 1.38 111.562 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.415 ' CB ' HD12 ' A' ' 61' ' ' ILE . 75.6 m-85 -72.38 -28.08 62.78 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.48 0.919 . . . . 0.34 113.48 -175.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.33 -17.92 64.95 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.461 -0.496 . . . . 1.93 110.824 -175.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -67.02 -9.33 37.89 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.345 -0.389 . . . . 2.59 111.741 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -91.69 -11.6 36.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.809 0.337 . . . . 0.36 110.982 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 157.62 -105.53 0.27 Allowed Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.481 -0.866 . . . . 1.36 112.838 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -126.49 132.16 51.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.618 0.246 . . . . 0.69 111.204 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.415 HD12 ' CB ' ' A' ' 55' ' ' PHE . 34.7 mt -103.18 139.5 23.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.993 0.425 . . . . 1.06 110.936 172.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -81.63 -47.37 13.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.497 -0.774 . . . . 1.59 109.989 172.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -157.15 140.73 15.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.487 -0.779 . . . . 2.3 110.401 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.98 116.21 13.49 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.848 -0.427 . . . . 1.04 109.848 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.83 149.69 26.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.945 0.403 . . . . 1.16 111.897 -174.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -98.79 134.31 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.881 -1.155 . . . . 1.08 107.881 169.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.941 HG12 ' HA2' ' A' ' 79' ' ' GLY . 22.4 mm -84.34 126.52 40.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.548 0.689 . . . . 1.07 111.385 -167.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.51 HG23 ' HA ' ' A' ' 75' ' ' SER . 39.0 p -125.18 146.29 49.57 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.37 -1.286 . . . . 1.06 108.188 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 73' ' ' GLN . 15.6 t70 -57.59 136.43 56.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.668 0.271 . . . . 0.64 111.092 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -57.69 -30.61 65.61 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.819 0.674 . . . . 6.12 112.819 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -94.49 -54.53 3.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.215 0.45 . . . . 2.3 112.215 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 p -91.39 -19.03 23.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.097 0.475 . . . . 1.36 111.707 -175.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 48.8 mt-30 68.03 26.79 7.22 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.077 -0.965 . . . . 2.05 111.177 173.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -87.15 131.65 34.1 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.459 -0.571 . . . . 2.65 109.459 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.51 ' HA ' HG23 ' A' ' 68' ' ' THR . 13.7 m -58.8 128.83 39.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.895 0.378 . . . . 1.28 110.786 176.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -98.25 13.44 31.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.035 -0.53 . . . . 2.76 111.414 -173.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.514 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 74.08 16.87 79.45 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.73 -0.748 . . . . 0.31 114.312 178.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.42 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 37.5 p90 -153.3 167.65 28.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.635 0.718 . . . . 1.11 110.39 175.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.941 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -158.24 -173.95 27.32 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.512 -0.851 . . . . 0.17 112.864 -175.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.5 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 49.8 m-85 -133.97 145.45 49.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.662 0.744 . . . . 0.43 112.172 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.1 t -130.99 127.51 61.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 114.459 -1.246 . . . . 1.06 109.756 171.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.5 m -104.9 110.44 22.82 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.211 -1.033 . . . . 1.07 108.211 175.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.558 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.6 mmm -84.49 149.48 25.91 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.247 0.546 . . . . 1.06 110.658 -178.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -75.26 -18.04 60.17 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.194 -0.912 . . . . 2.07 111.181 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -144.51 149.39 35.84 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.271 -0.422 . . . . 1.02 110.483 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.515 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 47.1 ttt180 -63.11 -42.27 99.53 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.031 -0.532 . . . . 3.61 111.633 -177.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.629 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -61.61 -44.38 97.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.307 . . . . 1.1 110.713 -173.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.5 m -63.5 -42.39 98.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.174 -0.466 . . . . 1.04 110.152 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.558 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.76 -44.84 95.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.416 0.627 . . . . 0.96 111.156 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -70.4 -35.15 73.28 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.538 -0.756 . . . . 2.08 111.392 -175.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 17.5 mmt180 -60.76 -39.88 90.42 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.415 -0.587 . . . . 3.84 109.415 175.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.73 78.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.538 -0.755 . . . . 1.03 111.028 175.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.0 m -81.34 -10.83 59.48 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 111.588 0.218 . . . . 0.34 111.588 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.487 ' O ' ' HD2' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -65.61 -39.66 91.77 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.33 -0.619 . . . . 3.42 109.33 177.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -101.1 93.81 3.38 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.081 -0.711 . . . . 1.12 109.081 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.509 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 60.4 Cg_endo -69.99 -12.15 31.89 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.762 2.308 . . . . 0.57 113.759 -170.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.66 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 11.2 m120 -130.01 68.25 80.64 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 112.285 0.476 . . . . 0.7 112.285 -176.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.458 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 9.7 Cg_exo -73.73 139.39 27.81 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.967 2.445 . . . . 0.81 112.035 174.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.4 mm -84.71 111.18 20.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.008 0.432 . . . . 1.15 110.272 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.5 mt -121.96 121.66 64.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.788 -0.642 . . . . 1.16 110.045 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.425 ' OD2' HG22 ' A' ' 50' ' ' THR . 32.1 m-20 59.45 33.15 22.19 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.531 -0.759 . . . . 1.33 110.481 -177.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.3 15.2 78.92 Favored Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.704 -0.68 . . . . 0.59 113.441 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.42 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 24.4 tpt180 -120.03 143.82 47.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.385 -0.48 . . . . 2.41 110.486 178.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -78.22 120.44 23.01 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.292 -0.413 . . . . 2.43 110.081 176.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.66 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.49 158.41 16.93 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.863 0.364 . . . . 1.04 110.763 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.509 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 5.6 m-20 -112.65 115.73 29.04 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.131 -0.692 . . . . 1.53 109.131 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.488 HG23 HG11 ' A' ' 39' ' ' VAL . 59.5 t -115.37 132.65 64.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 112.291 0.478 . . . . 1.14 112.291 -176.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -151.79 152.84 33.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.382 -0.827 . . . . 0.68 109.846 173.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.0 mt -55.57 131.03 45.25 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.089 -0.708 . . . . 1.08 109.089 172.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.36 -36.22 70.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.046 0.758 . . . . 1.02 113.046 -168.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -71.89 -13.15 61.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.901 0.382 . . . . 1.01 111.504 -175.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.6 -12.54 60.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.558 -0.292 . . . . 1.15 111.198 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.69 13.8 1.55 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 0.41 112.026 -178.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.73 126.15 30.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.982 0.42 . . . . 1.18 110.227 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -83.02 148.82 57.71 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.84 -0.618 . . . . 2.55 111.121 -176.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.69 161.37 36.83 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 123.472 2.781 . . . . 2.19 112.931 -172.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.435 ' O ' ' HG3' ' A' ' 117' ' ' ARG . 19.4 tpt180 62.9 36.79 12.55 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 122.301 1.048 . . . . 7.0 109.835 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.2 t -76.92 -2.02 31.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.088 -0.96 . . . . 4.62 110.341 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -70.07 99.06 1.4 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.747 -0.66 . . . . 6.53 109.832 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.478 ' H ' ' N4 ' ' B' ' 7' ' ' ' DC' . 59.5 t -98.01 -53.46 7.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.476 -0.329 . . . . 6.0 111.343 -176.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.228 -0.892 . . . . 8.27 111.085 -177.772 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 O5'-C5'-C4' 111.84 1.172 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.514 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 P-O3'-C3' 120.625 0.771 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 O4'-C1'-N19 109.108 1.635 . . . . 2.38 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C1'-O4'-C4' 106.315 -2.418 . . . . 1.46 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.5 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.43 -0.623 0 C3'-C2'-C1' 100.414 -1.633 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . 0.58 ' N7 ' ' HE3' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C4'-C3' 106.267 0.667 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.478 ' N4 ' ' H ' ' A' ' 120' ' ' VAL . . . . . . . . 0 O4'--C1' 1.411 -0.654 0 C1'-O4'-C4' 105.772 -2.806 . . . . 5.88 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 111.178 -0.769 . . . . 7.45 111.178 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.28 136.53 36.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.364 -0.606 . . . . 4.68 109.364 174.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.1 mmt 69.54 92.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 O-C-N 124.0 0.812 . . . . 7.32 111.976 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.56 -88.82 1.46 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.874 -0.679 . . . . 3.45 113.98 170.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -55.88 115.3 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.382 0.512 . . . . 4.75 112.382 -170.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.565 ' HA ' ' HG3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -98.31 -13.77 20.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.453 -0.34 . . . . 6.08 111.77 -179.597 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.41 -27.31 68.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.082 0.467 . . . . 2.39 110.604 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.593 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 0.8 OUTLIER -100.57 0.66 39.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.686 -0.688 . . . . 1.26 112.512 -179.066 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.565 ' HG3' ' HA ' ' A' ' 30' ' ' ARG . 61.7 mtp -54.07 -53.26 55.62 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.982 0.734 . . . . 1.46 112.982 -177.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.577 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 77.5 m-85 -105.91 -0.96 24.67 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.555 -0.458 . . . . 1.01 111.398 -176.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.593 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 41.5 p -101.52 -22.53 14.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.742 0.275 . . . . 1.06 111.742 -176.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.6 tttp -86.65 112.56 21.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.012 0.434 . . . . 1.86 109.9 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 89' ' ' ALA . 62.7 mt -100.01 130.89 48.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 116.054 -0.521 . . . . 1.09 110.471 178.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -104.82 128.94 53.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.564 -0.532 . . . . 0.36 109.564 174.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.606 HG11 HG23 ' A' ' 107' ' ' VAL . 3.6 t -113.01 132.5 61.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.848 -0.426 . . . . 1.06 109.848 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.85 151.43 18.21 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.982 -0.554 . . . . 0.24 111.798 -175.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.79 14.31 79.89 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.639 -0.791 . . . . 0.25 112.545 177.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.7 mt -66.54 130.0 94.12 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 120.626 0.25 . . . . 0.96 110.893 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 18.8 Cg_endo -58.58 148.13 83.28 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.121 1.88 . . . . 0.33 110.378 173.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -64.56 -13.69 54.12 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.941 -0.303 . . . . 1.01 111.628 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.544 ' HB2' ' OD1' ' A' ' 101' ' ' ASP . 18.7 m-70 -75.95 -22.33 56.07 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 121.026 -0.27 . . . . 3.21 111.382 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 m -55.06 127.87 31.07 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.97 0.414 . . . . 1.13 111.776 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.1 p -111.35 161.14 16.38 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.712 -0.676 . . . . 0.59 109.46 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.428 ' OD1' ' HA ' ' A' ' 65' ' ' VAL . 2.4 m-20 -53.99 -34.34 59.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.039 -0.528 . . . . 0.55 110.779 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -60.19 -46.8 88.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.336 -0.847 . . . . 2.74 111.135 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.7 m -64.78 -38.15 90.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.411 -0.359 . . . . 1.16 111.334 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.2 mt -69.12 -45.46 70.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.365 -0.606 . . . . 1.09 109.365 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.488 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 22.3 t-80 -55.61 -55.03 36.86 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.146 -0.934 . . . . 0.93 110.622 176.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.671 ' HG3' ' N ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -62.02 -37.95 86.81 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.206 0.447 . . . . 2.68 112.206 -175.822 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.671 ' N ' ' HG3' ' A' ' 53' ' ' GLU . 15.4 t80 -70.53 -53.65 15.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 1.38 111.404 -174.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.43 ' HB2' HD13 ' A' ' 61' ' ' ILE . 84.5 m-85 -72.92 -27.67 62.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.643 0.609 . . . . 0.34 112.643 -178.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' ' 52' ' ' HIS . 1.5 mm-40 -62.79 -17.74 61.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.937 0.399 . . . . 1.93 110.926 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -67.84 -17.41 64.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.379 -0.373 . . . . 2.59 111.07 174.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -92.38 -24.37 18.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 0.36 110.601 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.25 -172.65 38.41 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.947 -0.644 . . . . 1.36 112.189 -177.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.93 130.08 41.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.043 0.449 . . . . 0.69 111.401 -176.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.527 HG12 ' SD ' ' A' ' 83' ' ' MET . 18.5 mt -99.3 139.58 20.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.692 -0.685 . . . . 1.06 112.195 176.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 82' ' ' THR . 40.8 mm-40 -77.69 -51.25 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.774 -1.103 . . . . 1.59 109.717 173.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -159.68 139.86 11.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.595 -1.184 . . . . 2.3 109.529 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.39 115.58 12.5 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.768 -0.456 . . . . 1.04 109.768 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.428 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 30.6 m -137.56 150.11 25.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.136 0.493 . . . . 1.16 111.784 -176.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.0 t -94.95 134.42 32.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.113 -1.069 . . . . 1.08 108.113 169.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.769 HG12 ' HA2' ' A' ' 79' ' ' GLY . 28.6 mm -85.58 125.24 40.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.5 0.667 . . . . 1.07 110.856 -170.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.716 HG23 ' HA ' ' A' ' 75' ' ' SER . 76.7 p -123.7 149.54 45.38 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.66 -1.155 . . . . 1.06 108.566 177.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -57.58 127.04 30.04 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.529 -0.545 . . . . 0.64 109.529 172.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.54 ' HD3' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -59.63 -20.77 58.24 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.047 0.758 . . . . 6.12 113.047 -174.445 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.47 ' OD1' ' HG2' ' A' ' 70' ' ' ARG . 4.5 m-20 -90.57 -53.09 4.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.789 0.292 . . . . 2.3 111.789 -175.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.9 p -91.37 -20.36 21.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.101 0.477 . . . . 1.36 111.195 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 64.02 32.86 12.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.944 -1.025 . . . . 2.05 110.964 174.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -97.94 138.36 35.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.073 -0.967 . . . . 2.65 109.437 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.716 ' HA ' HG23 ' A' ' 68' ' ' THR . 9.0 m -59.39 131.24 50.37 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.155 0.284 . . . . 1.28 110.779 -177.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.707 ' HD3' ' HH ' ' A' ' 78' ' ' TYR . 27.8 mtp180 -96.56 15.11 22.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.308 0.575 . . . . 2.76 110.739 -175.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.588 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 74.29 13.88 81.12 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-N 115.435 -0.802 . . . . 0.31 114.688 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.707 ' HH ' ' HD3' ' A' ' 76' ' ' ARG . 54.3 p90 -150.57 167.89 25.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.654 0.727 . . . . 1.11 109.997 177.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.769 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -159.12 -177.55 32.3 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 119.995 -1.098 . . . . 0.17 112.989 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.678 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 55.5 m-85 -133.24 139.31 46.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.727 0.775 . . . . 0.43 112.126 -177.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 t -125.92 127.2 70.98 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 114.396 -1.275 . . . . 1.06 108.765 168.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 19.5 m -106.05 113.25 26.67 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 107.861 -1.162 . . . . 1.07 107.861 174.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.583 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.6 mmm -85.41 145.89 27.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.201 0.524 . . . . 1.06 110.368 -178.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -69.43 -18.78 63.77 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.22 -0.9 . . . . 2.07 111.236 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -144.74 150.7 37.71 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.951 0.405 . . . . 1.02 111.342 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.577 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 24.9 ttm180 -59.86 -43.22 94.78 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.359 -0.837 . . . . 3.61 112.459 -176.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -64.71 -43.8 92.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.465 -0.334 . . . . 1.1 110.886 -173.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.4 m -62.43 -43.39 98.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.335 0.588 . . . . 1.04 109.811 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.612 ' HA ' HD12 ' A' ' 37' ' ' ILE . . . -63.94 -44.82 91.69 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.244 -0.889 . . . . 0.96 111.221 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -69.59 -37.06 76.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.222 -0.444 . . . . 2.08 111.525 -176.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 4.9 mtp180 -60.57 -40.45 91.72 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 120.573 -0.451 . . . . 3.84 109.901 177.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.42 -35.74 80.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.579 -0.737 . . . . 1.03 111.406 175.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.1 m -81.89 -9.34 59.62 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 112.348 0.499 . . . . 0.34 112.348 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -63.93 -38.3 90.58 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 121.297 -0.161 . . . . 3.42 111.395 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -111.34 102.67 53.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.269 -0.641 . . . . 1.12 109.269 176.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.537 ' C ' ' HD3' ' A' ' 98' ' ' PRO . 59.9 Cg_endo -71.06 -2.75 11.58 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.985 2.457 . . . . 0.57 114.588 -174.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.518 HD21 ' C ' ' A' ' 96' ' ' PRO . 1.0 OUTLIER -121.98 55.49 6.13 Favored Pre-proline 0 N--CA 1.472 0.658 0 N-CA-C 112.933 0.716 . . . . 0.7 112.933 -176.181 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.537 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 4.8 Cg_exo -73.9 138.06 25.36 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.288 1.992 . . . . 0.81 111.907 177.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 49.1 mm -83.75 116.62 28.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.171 -0.468 . . . . 1.15 110.562 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.3 mt -126.03 124.46 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 1.16 110.48 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' A' ' 45' ' ' HIS . 33.9 t70 59.19 34.51 23.2 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.859 0.838 . . . . 1.33 110.079 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.71 12.43 82.76 Favored Glycine 0 CA--C 1.522 0.524 0 CA-C-N 115.44 -0.8 . . . . 0.59 113.798 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.424 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 70.8 ttt180 -130.4 140.65 50.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.298 0.549 . . . . 2.41 110.386 -179.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -73.64 123.52 24.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.389 -0.369 . . . . 2.43 110.699 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.33 159.47 16.35 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.596 -0.729 . . . . 1.04 110.475 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.529 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 91.7 m-20 -111.13 115.51 29.53 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.167 -0.679 . . . . 1.53 109.167 178.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.606 HG23 HG11 ' A' ' 39' ' ' VAL . 97.7 t -119.11 133.43 65.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.397 0.518 . . . . 1.14 112.397 -175.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.458 ' C ' HD21 ' A' ' 108' ' ' ASN . 0.3 OUTLIER -159.37 160.0 34.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.345 -0.843 . . . . 0.68 109.319 174.244 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.4 mt -55.67 127.88 32.06 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.926 -0.398 . . . . 1.08 109.926 174.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.97 70.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.862 0.69 . . . . 1.02 112.862 -169.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -70.82 -15.92 62.69 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 121.074 -0.251 . . . . 1.01 111.329 -176.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.5 mt -76.76 -8.51 57.44 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.482 0.549 . . . . 1.15 112.482 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.98 13.64 1.7 Allowed Glycine 0 C--N 1.323 -0.14 0 C-N-CA 120.728 -0.749 . . . . 0.41 112.037 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.74 145.94 38.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.839 0.352 . . . . 1.18 111.14 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -65.95 126.41 91.78 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.654 -0.703 . . . . 2.55 111.053 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -79.91 29.38 0.5 Allowed 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.197 2.598 . . . . 2.19 112.255 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -154.33 102.99 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.554 -0.748 . . . . 7.0 110.164 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.9 t -157.54 171.43 20.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.85 -0.614 . . . . 4.62 109.645 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -139.48 -54.77 0.57 Allowed 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 109.842 -0.429 . . . . 6.53 109.842 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.47 HG11 " H4'" ' B' ' 7' ' ' ' DC' . 13.9 t 65.22 38.81 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 115.575 -0.739 . . . . 6.0 111.143 174.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.247 -0.882 . . . . 8.27 109.503 173.624 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O5'-C5'-C4' 111.084 0.631 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.588 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 C3'-C2'-C1' 100.344 -1.683 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.426 H2'' ' OP1' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 C3'-C2'-C1' 100.31 -1.707 . . . . 2.38 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.426 ' OP1' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C4'-C3'-C2' 105.229 2.029 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.678 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 C3'-C2'-C1' 101.173 -1.091 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . 0.425 " O4'" HD13 ' A' ' 67' ' ' ILE . . . . . . . . 0 O5'--C5' 1.43 -0.615 0 O5'-C5'-C4' 111.264 0.76 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.47 " H4'" HG11 ' A' ' 120' ' ' VAL . . . . . . . . 0 O5'--C5' 1.429 -0.688 0 P-O3'-C3' 120.698 0.831 . . . . 5.88 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.856 0 N-CA-C 112.19 -0.364 . . . . 7.45 112.19 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 67.09 -88.08 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.156 0.583 . . . . 4.68 111.35 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 80.5 mmm -102.65 76.82 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.676 -0.49 . . . . 7.32 109.676 -177.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.29 -141.59 26.09 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.823 -0.703 . . . . 3.45 111.431 -176.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 t 60.52 89.4 0.07 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.366 0.603 . . . . 4.75 111.666 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.747 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -115.37 -10.23 12.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.024 -0.534 . . . . 6.08 110.574 179.615 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -65.98 -26.45 67.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.55 -0.75 . . . . 2.39 111.076 -175.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.4 p -107.2 -3.2 20.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.892 -0.594 . . . . 1.26 112.373 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.441 ' HG3' ' HA ' ' A' ' 30' ' ' ARG . 69.7 mtp -54.92 -52.3 63.38 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.36 0.874 . . . . 1.46 113.36 -174.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.546 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 81.1 m-85 -105.75 0.48 26.21 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.162 -0.615 . . . . 1.01 111.168 -176.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.0 p -106.33 -30.21 9.29 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.544 -0.298 . . . . 1.06 111.713 -175.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.477 ' HE3' ' O6 ' ' B' ' 6' ' ' ' DG' . 86.9 tttt -82.92 111.7 19.04 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 121.177 0.513 . . . . 1.86 109.743 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.8 mt -101.76 132.77 47.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.451 -0.795 . . . . 1.09 110.431 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -97.42 123.43 41.26 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.424 -0.584 . . . . 0.36 109.424 175.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.506 HG11 HG23 ' A' ' 107' ' ' VAL . 3.7 t -104.33 124.67 58.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.355 -0.609 . . . . 1.06 109.355 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.24 156.98 19.3 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.098 -0.572 . . . . 0.24 112.256 -173.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.15 9.85 86.65 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.916 -0.659 . . . . 0.25 112.534 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.19 135.02 93.55 Favored Pre-proline 0 C--N 1.327 -0.389 0 C-N-CA 122.301 0.24 . . . . 0.96 110.66 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.519 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 45.7 Cg_endo -68.9 152.35 73.6 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.028 1.818 . . . . 0.33 110.292 174.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -63.59 -14.76 54.64 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.988 0.366 . . . . 1.01 111.988 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.401 ' HB2' ' OD1' ' A' ' 101' ' ' ASP . 16.2 m-70 -76.27 -22.78 54.69 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.888 0.329 . . . . 3.21 111.888 178.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.7 m -58.21 134.81 56.84 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.296 0.48 . . . . 1.13 112.296 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.9 p -117.14 167.52 11.11 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.161 -0.472 . . . . 0.59 110.367 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -53.12 -39.62 63.6 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.895 -0.593 . . . . 0.55 111.419 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.573 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 37.9 ttpt -69.11 -33.77 74.0 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.35 -0.387 . . . . 2.74 110.119 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.0 m -62.04 -40.39 95.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.995 0.426 . . . . 1.16 110.191 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.5 mt -71.91 -40.99 68.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 1.09 110.29 176.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -55.34 -56.0 25.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.605 -0.725 . . . . 0.93 111.067 177.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 9.5 mm-40 -59.67 -43.65 93.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.632 0.604 . . . . 2.68 112.632 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.444 ' OH ' ' HB3' ' A' ' 98' ' ' PRO . 73.3 t80 -70.17 -52.59 22.24 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.914 -0.714 . . . . 1.38 111.911 -175.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.443 ' CB ' HD12 ' A' ' 61' ' ' ILE . 79.0 m-85 -71.81 -27.64 63.06 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.143 0.794 . . . . 0.34 113.143 -176.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -17.68 64.99 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.387 -0.525 . . . . 1.93 110.843 -175.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -67.58 -11.58 58.42 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.961 -0.563 . . . . 2.59 111.158 177.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 43.5 m-85 -92.38 -30.22 15.9 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 122.303 -0.248 . . . . 0.36 111.135 178.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.16 -168.64 36.51 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.41 -0.9 . . . . 1.36 112.568 -174.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -63.03 117.6 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.469 0.652 . . . . 0.69 112.334 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.482 HG12 ' SD ' ' A' ' 83' ' ' MET . 31.9 mt -96.66 133.44 38.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.435 -0.802 . . . . 1.06 111.054 168.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.445 ' OE1' ' HE2' ' A' ' 84' ' ' LYS . 1.9 mm-40 -80.3 -42.32 23.26 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.117 -0.947 . . . . 1.59 109.607 174.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -157.63 135.33 10.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.155 -0.93 . . . . 2.3 109.685 -173.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.91 113.71 10.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 117.832 0.287 . . . . 1.04 110.3 176.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 m -139.24 150.79 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.304 0.483 . . . . 1.16 112.304 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.6 t -96.74 133.92 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 107.788 -1.19 . . . . 1.08 107.788 169.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.81 HG12 ' HA2' ' A' ' 79' ' ' GLY . 26.0 mm -82.92 128.37 38.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-O 121.679 0.752 . . . . 1.07 110.942 -169.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.727 HG23 ' HA ' ' A' ' 75' ' ' SER . 32.5 p -129.48 147.04 51.25 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.425 -1.261 . . . . 1.06 107.835 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.97 132.03 48.21 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.854 -0.738 . . . . 0.64 109.744 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.658 ' HB3' ' OP1' ' B' ' 7' ' ' ' DC' . 0.0 OUTLIER -61.66 -15.99 44.72 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.429 0.9 . . . . 6.12 113.429 -172.332 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -86.06 -58.39 2.66 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.68 -0.408 . . . . 2.3 110.898 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.1 p -96.59 -20.68 18.16 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.28 0.474 . . . . 1.36 112.28 -174.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 68.34 23.49 7.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.468 -0.787 . . . . 2.05 110.891 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -77.82 150.91 34.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.043 -0.526 . . . . 2.65 109.787 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.727 ' HA ' HG23 ' A' ' 68' ' ' THR . 15.5 m -75.56 123.49 25.57 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.01 -0.367 . . . . 1.28 110.01 -171.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.955 ' HD3' ' HH ' ' A' ' 78' ' ' TYR . 54.1 mtt180 -82.02 5.74 18.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.046 0.451 . . . . 2.76 111.523 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.563 ' HA3' ' H21' ' B' ' 2' ' ' ' DG' . . . 73.58 10.89 80.13 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.827 -0.701 . . . . 0.31 114.124 178.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.955 ' HH ' ' HD3' ' A' ' 76' ' ' ARG . 40.7 p90 -149.6 165.04 33.47 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.268 -0.641 . . . . 1.11 109.268 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.81 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -154.38 -175.81 25.99 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 119.91 -1.138 . . . . 0.17 112.766 -176.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -132.74 138.26 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.6 0.714 . . . . 0.43 111.373 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.3 t -122.98 123.27 67.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 114.664 -1.153 . . . . 1.06 109.346 170.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -101.81 108.92 20.56 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.35 -0.981 . . . . 1.07 108.35 177.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.541 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.8 mmm -84.2 148.33 26.8 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.37 0.605 . . . . 1.06 110.579 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.445 ' HE2' ' OE1' ' A' ' 62' ' ' GLU . 19.7 ttmt -75.85 -17.94 59.62 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.768 -1.105 . . . . 2.07 110.625 -177.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -147.36 151.01 35.82 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.351 0.596 . . . . 1.02 110.984 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.546 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 4.7 ttm180 -60.7 -41.79 95.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.303 -0.862 . . . . 3.61 111.947 -176.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.698 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -66.04 -45.74 80.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.365 -0.38 . . . . 1.1 111.171 -170.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.8 m -63.7 -39.11 93.49 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.61 -0.515 . . . . 1.04 109.61 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.541 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.83 -44.72 95.38 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.953 -0.567 . . . . 0.96 111.002 177.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -71.37 -34.69 70.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.738 -0.664 . . . . 2.08 111.919 -175.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.698 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 29.9 mmm180 -60.24 -39.94 88.47 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.118 -0.697 . . . . 3.84 109.118 175.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.524 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -61.38 -37.26 82.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.514 -0.767 . . . . 1.03 111.166 175.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 64.4 m -81.43 -12.57 58.88 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.064 0.394 . . . . 0.34 112.064 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -65.64 -34.62 78.65 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.193 0.52 . . . . 3.42 109.739 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -108.07 88.86 5.02 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 108.619 -0.882 . . . . 1.12 108.619 172.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.534 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 54.5 Cg_endo -69.09 -3.83 12.35 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.0 2.467 . . . . 0.57 113.944 -174.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.649 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 12.3 m120 -129.18 67.09 78.01 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 111.973 0.36 . . . . 0.7 111.973 -178.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.444 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 5.0 Cg_exo -74.69 142.11 28.48 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.789 2.326 . . . . 0.81 111.705 174.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.3 mm -83.32 110.44 18.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.43 -0.582 . . . . 1.15 109.43 172.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.4 mt -125.79 120.59 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.064 -0.517 . . . . 1.16 110.167 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.401 ' OD1' ' HB2' ' A' ' 45' ' ' HIS . 26.4 t70 60.5 34.86 20.34 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.984 0.897 . . . . 1.33 110.246 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.21 3.51 88.47 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.025 -0.989 . . . . 0.59 112.87 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.519 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 15.7 tpt180 -115.37 137.02 52.48 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 122.723 -0.281 . . . . 2.41 110.673 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -74.84 120.16 20.01 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.438 -0.949 . . . . 2.43 108.438 171.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.649 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.41 159.2 16.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.295 -0.411 . . . . 1.04 110.666 -175.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.534 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 3.7 m-20 -115.07 115.3 26.57 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.201 -0.666 . . . . 1.53 109.201 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.506 HG23 HG11 ' A' ' 39' ' ' VAL . 94.5 t -117.76 134.23 62.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.898 0.38 . . . . 1.14 111.936 -175.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -155.9 155.97 33.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.809 -0.632 . . . . 0.68 110.05 175.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' A' ' 34' ' ' PHE . 88.1 mt -55.81 130.64 44.3 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.712 -0.477 . . . . 1.08 109.712 174.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.11 -33.04 73.7 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.229 0.826 . . . . 1.02 113.229 -167.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -68.08 -16.51 64.05 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.786 -0.366 . . . . 1.01 111.298 -175.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.1 mt -71.16 -8.15 51.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.332 0.493 . . . . 1.15 112.332 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.74 12.62 0.99 Allowed Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.766 -0.73 . . . . 0.41 111.328 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.26 145.98 43.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.127 0.489 . . . . 1.18 112.004 -174.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -69.46 149.21 97.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.283 -0.872 . . . . 2.55 110.43 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.86 114.72 2.12 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.596 2.197 . . . . 2.19 111.31 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 77.29 82.28 0.08 Allowed 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.849 0.718 . . . . 7.0 110.689 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.4 t -81.42 119.85 24.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.821 -0.627 . . . . 4.62 109.613 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.432 ' HB3' " O3'" ' B' ' 7' ' ' ' DC' . 10.9 t30 -84.38 114.05 21.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.225 0.536 . . . . 6.53 111.425 -173.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.8 t -129.58 115.55 35.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.744 -0.835 . . . . 6.0 108.744 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.482 -0.771 . . . . 8.27 110.457 -176.528 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O5'-C5'-C4' 111.529 0.949 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.563 ' H21' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C3'-C2'-C1' 100.677 -1.445 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.571 ' C6 ' ' OP1' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 P--O5' 1.597 0.431 0 O5'-C5'-C4' 112.519 1.656 . . . . 2.38 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.456 ' C6 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 C4'-C3'-C2' 105.03 1.83 . . . . 1.46 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.658 0 C3'-C2'-C1' 101.154 -1.104 . . . . 1.38 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . 0.477 ' O6 ' ' HE3' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.431 -0.591 0 C5'-C4'-C3' 115.564 0.576 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.658 ' OP1' ' HB3' ' A' ' 70' ' ' ARG . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 O4'-C4'-C3' 106.148 0.548 . . . . 5.88 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.652 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 2.2 p . . . . . 0 N--CA 1.449 -0.504 0 CA-C-O 120.66 0.266 . . . . 0.76000000000000001 111.711 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.7 ttt -51.16 -54.33 26.35 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.137 0.792 . . . . 0.91000000000000003 113.137 -171.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.534 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 62.5 m-85 -106.72 2.2 25.58 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 121.914 -0.491 . . . . 0.85999999999999999 111.941 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 15.3 p -106.61 -22.07 12.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.807 0.669 . . . . 0.25 112.807 -175.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.652 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 40.0 tttp -85.75 113.17 21.72 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.758 0.313 . . . . 1.28 110.381 -177.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.55 HD11 ' HA ' ' A' ' 89' ' ' ALA . 65.5 mt -103.13 134.29 44.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.186 -0.461 . . . . 0.20999999999999999 111.163 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -100.78 128.66 46.74 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.589 -0.522 . . . . 0.29999999999999999 109.589 173.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.416 HG13 HG22 ' A' ' 107' ' ' VAL . 7.5 t -110.66 130.42 64.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.866 -0.42 . . . . 0.25 109.866 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.02 160.78 21.31 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.939 -0.573 . . . . 0.23999999999999999 112.051 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.39 28.21 64.21 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.814 -0.708 . . . . 0.23999999999999999 112.776 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.2 mt -85.67 130.33 51.37 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.762 0.315 . . . . 0.20000000000000001 110.955 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 16.3 Cg_endo -60.41 142.9 99.21 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.877 1.718 . . . . 0.28000000000000003 110.165 172.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -62.13 -20.67 64.32 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.716 0.265 . . . . 0.54000000000000004 111.716 -172.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.46 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 19.1 p80 -81.0 -13.29 59.0 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.122 0.786 . . . . 2.3700000000000001 113.122 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.447 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 48.2 m -56.07 139.76 45.88 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.526 0.603 . . . . 0.34999999999999998 111.189 175.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.7 p -111.9 163.17 14.52 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.086 0.469 . . . . 0.26000000000000001 110.705 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.65 -36.74 62.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.556 -0.747 . . . . 0.55000000000000004 110.696 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.664 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 26.6 ttpp -68.68 -35.36 77.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 2.2400000000000002 110.281 -178.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.4 m -62.32 -39.86 94.42 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.704 0.287 . . . . 0.39000000000000001 110.544 177.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.4 mt -70.42 -42.49 71.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.647 -0.501 . . . . 0.26000000000000001 109.647 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -55.93 -55.52 31.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.255 -0.884 . . . . 0.69999999999999996 111.548 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 25.0 mm-40 -60.02 -45.37 93.02 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.443 0.534 . . . . 2.6800000000000002 112.443 -176.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -70.16 -51.61 29.88 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.891 -0.324 . . . . 0.84999999999999998 111.375 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -71.18 -27.93 63.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.483 0.92 . . . . 0.23999999999999999 113.483 -176.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -68.77 -13.92 62.7 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.766 -0.774 . . . . 1.9299999999999999 110.727 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -67.03 -11.06 55.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 2.0600000000000001 111.84 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -92.16 -15.58 27.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.6 0.238 . . . . 0.29999999999999999 110.943 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.42 -110.82 0.43 Allowed Glycine 0 C--N 1.329 0.166 0 C-N-CA 120.601 -0.809 . . . . 1.3600000000000001 112.515 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -130.83 139.95 50.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.923 0.392 . . . . 0.65000000000000002 110.924 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.465 HG12 ' SD ' ' A' ' 83' ' ' MET . 39.9 mt -110.35 140.94 27.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.114 0.483 . . . . 0.22 111.73 177.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -79.24 -51.63 9.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.234 -0.893 . . . . 1.5900000000000001 109.579 172.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -155.3 136.21 13.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.738 -1.119 . . . . 2.2999999999999998 109.888 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.13 114.51 11.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.773 -0.455 . . . . 0.17000000000000001 109.773 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.4 m -138.55 151.62 24.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.935 -0.575 . . . . 0.32000000000000001 111.992 -174.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 50.0 t -96.06 134.3 34.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.543 -1.28 . . . . 0.23000000000000001 107.543 170.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.803 HG12 ' HA2' ' A' ' 79' ' ' GLY . 43.7 mm -85.12 128.66 38.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.494 0.664 . . . . 0.17000000000000001 111.274 -168.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.641 HG22 ' HA ' ' A' ' 75' ' ' SER . 73.9 p -121.93 149.3 43.62 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 115.013 -0.994 . . . . 0.34000000000000002 108.709 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.67 126.61 28.11 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.738 -0.467 . . . . 0.64000000000000001 109.738 173.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.53 ' C ' ' HD3' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -62.75 -16.57 58.3 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.77 0.655 . . . . 5.2400000000000002 112.77 -172.618 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -87.59 -54.23 4.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.985 0.422 . . . . 1.6499999999999999 110.833 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.1 p -92.51 -15.39 27.1 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.243 0.46 . . . . 0.70999999999999996 112.243 -175.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 62.99 30.95 16.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.418 -0.81 . . . . 1.4199999999999999 110.529 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -103.99 140.5 37.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.616 -0.72 . . . . 2.2000000000000002 109.84 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.641 ' HA ' HG22 ' A' ' 68' ' ' THR . 14.6 m -59.02 131.5 51.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 1.1499999999999999 111.925 -173.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -93.45 10.53 31.96 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.0 -0.545 . . . . 2.1600000000000001 110.671 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.43 16.26 78.91 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.526 -0.761 . . . . 0.26000000000000001 114.869 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -149.11 165.21 32.44 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.909 -0.775 . . . . 0.46000000000000002 108.909 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.803 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -152.0 179.51 28.51 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 119.754 -1.212 . . . . 0.14000000000000001 112.962 -174.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.452 ' HD1' ' CG1' ' A' ' 67' ' ' ILE . 53.5 m-85 -134.11 139.77 46.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.847 0.832 . . . . 0.31 111.607 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.6 t -125.55 130.41 72.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 114.361 -1.291 . . . . 0.28999999999999998 109.24 170.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 m -108.2 110.64 22.32 Favored 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.795 -1.187 . . . . 0.26000000000000001 107.795 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.503 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 91.3 mmm -83.92 149.28 26.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.089 0.471 . . . . 0.42999999999999999 110.443 -175.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -76.56 -19.75 57.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.217 -0.902 . . . . 1.46 110.137 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.52 146.62 38.37 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.535 -0.757 . . . . 1.02 110.577 -178.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.534 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 59.7 ttt180 -66.49 -43.81 84.37 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.328 0.492 . . . . 2.9500000000000002 112.328 -177.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.672 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -60.42 -40.18 90.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.003 0.43 . . . . 0.27000000000000002 110.32 -176.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.5 m -62.29 -44.38 96.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.487 -0.779 . . . . 0.55000000000000004 109.73 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.55 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -63.42 -44.92 93.22 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.654 -0.703 . . . . 0.17000000000000001 110.884 178.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -69.88 -37.55 76.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.668 -0.696 . . . . 2.0800000000000001 111.659 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 28.5 mmm180 -61.01 -39.23 88.94 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.478 -0.564 . . . . 3.23 109.478 175.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.74 74.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.857 -0.61 . . . . 0.20000000000000001 111.26 175.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 60.8 m -80.8 -16.12 54.61 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.654 0.242 . . . . 0.32000000000000001 111.654 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -70.04 -32.34 70.42 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 110.155 -0.313 . . . . 2.8999999999999999 110.155 -179.24 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -101.33 89.5 1.4 Allowed Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.868 -0.79 . . . . 1.1200000000000001 108.868 171.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.499 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 56.4 Cg_endo -69.62 -15.4 37.59 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.434 2.089 . . . . 0.47999999999999998 113.904 -170.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.762 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 93.2 m-20 -131.04 63.74 71.37 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 112.492 0.553 . . . . 0.67000000000000004 112.492 -173.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -75.28 148.78 34.66 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.481 2.121 . . . . 0.47999999999999998 112.489 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.3 mm -80.21 111.81 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.852 0.358 . . . . 0.42999999999999999 110.255 175.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.9 mt -120.8 115.15 46.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.26 -0.427 . . . . 0.44 110.279 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.76 44.34 26.34 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.707 -0.679 . . . . 1.3300000000000001 111.383 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.45 6.02 89.51 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 115.395 -0.82 . . . . 0.51000000000000001 114.732 174.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.546 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 63.4 ttt180 -134.41 141.76 46.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.751 0.776 . . . . 1.97 110.494 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.537 ' HD3' ' HB3' ' A' ' 97' ' ' ASN . 23.8 ttmm -76.4 127.38 32.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.226 -0.443 . . . . 1.8700000000000001 110.061 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.762 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.59 161.34 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.76 -0.654 . . . . 0.20999999999999999 110.987 -176.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.499 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 2.0 p-10 -116.73 117.78 30.72 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.183 -0.673 . . . . 1.53 109.183 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.416 HG22 HG13 ' A' ' 39' ' ' VAL . 59.0 t -117.62 137.3 51.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.736 -0.665 . . . . 0.38 112.109 -172.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -156.28 155.94 33.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.969 -0.559 . . . . 0.60999999999999999 110.053 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.3 mt -55.51 128.25 33.58 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.786 -0.449 . . . . 0.23000000000000001 109.786 172.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.75 -34.19 77.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.023 0.749 . . . . 0.22 113.023 -168.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -63.51 -20.27 65.47 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.849 0.357 . . . . 0.44 111.237 -174.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.8 mt -70.7 -7.98 48.67 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.606 0.595 . . . . 0.44 112.606 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -148.98 12.94 1.11 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.699 -0.762 . . . . 0.38 111.685 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 120.682 0.277 . . . . 0.57999999999999996 110.834 -177.635 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.616 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 4.4 p . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 112.815 0.672 . . . . 0.76000000000000001 112.815 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 52.7 mtp -53.16 -53.7 46.68 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.858 0.688 . . . . 0.91000000000000003 112.858 -178.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.541 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 47.8 m-85 -106.29 -5.26 19.27 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 118.229 0.468 . . . . 0.85999999999999999 111.905 -177.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.501 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 10.9 p -99.87 -23.38 14.97 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.552 -0.295 . . . . 0.25 111.766 -174.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.616 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 86.0 tttt -95.23 113.76 25.48 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.401 0.62 . . . . 1.28 110.288 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.432 HG12 HD23 ' A' ' 109' ' ' LEU . 73.8 mt -103.36 132.86 48.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.13 -0.941 . . . . 0.20999999999999999 110.534 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -97.89 123.6 41.94 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.116 -0.698 . . . . 0.29999999999999999 109.116 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.569 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.3 t -107.29 128.49 62.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.33 -0.619 . . . . 0.25 109.33 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.47 153.93 18.89 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.051 -0.595 . . . . 0.23999999999999999 112.628 -172.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.9 16.27 77.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.829 -0.701 . . . . 0.23999999999999999 112.617 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.2 mt -74.88 133.77 75.72 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 120.658 0.266 . . . . 0.20000000000000001 111.094 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 19.1 Cg_endo -60.67 146.02 97.89 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.378 2.052 . . . . 0.28000000000000003 110.94 173.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -64.59 -15.19 60.69 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.804 0.335 . . . . 0.54000000000000004 111.322 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -77.28 -22.0 52.74 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.366 -0.379 . . . . 2.3700000000000001 111.548 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.9 m -55.64 136.12 50.7 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 111.733 0.272 . . . . 0.34999999999999998 111.733 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.6 p -110.77 163.44 13.76 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.031 0.443 . . . . 0.26000000000000001 110.197 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -53.79 -32.65 53.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.762 -0.654 . . . . 0.55000000000000004 110.324 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.62 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 38.8 ttmt -68.71 -38.2 80.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.728 -0.669 . . . . 2.2400000000000002 110.774 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.8 m -62.12 -36.94 83.26 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.024 0.44 . . . . 0.39000000000000001 110.415 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.3 mt -70.77 -41.09 72.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.108 -0.497 . . . . 0.26000000000000001 110.199 176.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -55.62 -55.27 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.66 -0.7 . . . . 0.69999999999999996 111.213 176.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.62 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 14.4 mm-40 -59.53 -44.6 93.16 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.06 0.393 . . . . 2.6800000000000002 112.06 -175.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -70.77 -52.84 18.16 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.575 -0.45 . . . . 0.84999999999999998 111.459 -172.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.447 ' HB2' HD11 ' A' ' 61' ' ' ILE . 77.2 m-85 -71.72 -28.32 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.638 0.977 . . . . 0.23999999999999999 113.638 -176.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -66.34 -16.21 63.87 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.257 -0.577 . . . . 1.9299999999999999 110.562 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -67.58 -18.65 65.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 2.0600000000000001 111.292 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.408 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 77.3 m-85 -91.71 -22.58 20.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.986 0.422 . . . . 0.29999999999999999 110.517 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.518 ' HA3' ' HB3' ' A' ' 88' ' ' SER . . . 165.9 -176.19 41.36 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.441 -0.663 . . . . 1.3600000000000001 111.441 -178.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.83 136.9 47.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.091 0.472 . . . . 0.65000000000000002 110.88 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 55' ' ' PHE . 40.5 mt -105.64 134.78 46.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.689 -0.687 . . . . 0.22 110.918 178.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.464 ' HG2' ' HE2' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -80.06 -44.73 19.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.107 -0.951 . . . . 1.5900000000000001 109.537 175.685 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -158.9 136.49 10.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.364 -0.835 . . . . 2.2999999999999998 110.156 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.08 115.38 12.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.883 -0.414 . . . . 0.17000000000000001 109.883 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.4 m -138.06 151.84 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.857 0.36 . . . . 0.32000000000000001 111.648 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.06 134.82 32.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.435 -0.95 . . . . 0.23000000000000001 108.435 171.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.494 HG12 ' HA2' ' A' ' 79' ' ' GLY . 14.1 mm -83.55 128.53 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.71 0.767 . . . . 0.17000000000000001 111.869 -169.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.44 HG22 ' HA ' ' A' ' 75' ' ' SER . 46.4 p -124.27 146.42 48.78 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.289 -1.323 . . . . 0.34000000000000002 109.318 -178.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.407 ' OD1' ' HD3' ' A' ' 70' ' ' ARG . 5.7 t70 -57.3 135.56 56.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.602 0.239 . . . . 0.64000000000000001 110.624 173.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.407 ' H ' ' CD ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -62.39 -24.52 67.43 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.076 0.769 . . . . 5.2400000000000002 113.076 -178.027 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -86.01 -55.55 3.89 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.651 -0.42 . . . . 1.6499999999999999 111.752 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.5 p -91.02 -14.16 31.92 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.141 0.423 . . . . 0.70999999999999996 112.141 -173.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 61.05 29.85 19.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.211 -0.904 . . . . 1.4199999999999999 110.333 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -104.12 139.84 38.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.704 -0.68 . . . . 2.2000000000000002 110.546 -177.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.44 ' HA ' HG22 ' A' ' 68' ' ' THR . 15.2 m -60.44 133.47 56.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.245 0.545 . . . . 1.1499999999999999 111.467 -175.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -97.5 18.45 15.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.864 -0.607 . . . . 2.1600000000000001 111.189 -176.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.47 16.7 80.47 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.956 -0.64 . . . . 0.26000000000000001 114.303 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.569 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 47.7 p90 -156.49 167.64 29.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.267 0.534 . . . . 0.46000000000000002 110.497 176.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.494 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -151.26 -177.19 24.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.14000000000000001 113.038 -175.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.441 ' HD1' HD11 ' A' ' 67' ' ' ILE . 47.8 m-85 -132.36 139.76 48.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.58 0.705 . . . . 0.31 111.904 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.6 t -127.16 126.61 68.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 114.401 -1.272 . . . . 0.28999999999999998 109.574 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 m -106.43 110.36 22.55 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.06 -1.089 . . . . 0.26000000000000001 108.06 175.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.483 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.4 mmm -83.48 149.41 26.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.083 0.468 . . . . 0.42999999999999999 110.001 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.464 ' HE2' ' HG2' ' A' ' 62' ' ' GLU . 12.3 ttmt -76.33 -17.11 59.58 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.624 -0.716 . . . . 1.46 110.883 -177.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.8 147.33 38.88 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.399 -0.364 . . . . 1.02 111.084 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.541 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 33.0 ttm180 -63.99 -44.33 93.0 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 112.75 0.648 . . . . 2.9500000000000002 112.75 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.661 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -64.57 -40.37 95.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.891 0.377 . . . . 0.27000000000000002 110.519 -175.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.518 ' HB3' ' HA3' ' A' ' 59' ' ' GLY . 16.1 m -62.36 -43.47 98.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.637 -0.71 . . . . 0.55000000000000004 109.977 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.483 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -63.17 -42.35 99.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.237 -0.892 . . . . 0.17000000000000001 111.572 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -69.51 -37.14 77.03 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.395 -0.366 . . . . 2.0800000000000001 111.126 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.661 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 49.4 mtp180 -59.8 -38.74 82.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.995 0.426 . . . . 3.23 110.07 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.408 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -63.21 -39.34 94.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.542 -0.754 . . . . 0.20000000000000001 111.385 174.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 61.4 m -82.28 -9.32 59.52 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.073 0.397 . . . . 0.32000000000000001 112.073 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -64.79 -35.38 80.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.665 0.269 . . . . 2.8999999999999999 111.088 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -113.46 92.67 24.14 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 108.228 -1.027 . . . . 1.1200000000000001 108.228 172.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.521 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 56.9 Cg_endo -69.72 2.55 3.41 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.225 2.616 . . . . 0.47999999999999998 114.233 -170.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.506 ' N ' ' HD3' ' A' ' 98' ' ' PRO . 87.0 m-20 -126.08 53.87 9.77 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 112.873 0.694 . . . . 0.67000000000000004 112.873 -176.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.517 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 3.4 Cg_exo -74.29 144.15 32.62 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.428 2.085 . . . . 0.47999999999999998 112.087 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.1 mm -81.64 110.96 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.839 -0.43 . . . . 0.42999999999999999 109.839 176.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.9 mt -121.57 122.98 68.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.488 -0.324 . . . . 0.44 110.927 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.9 t70 58.84 39.37 24.06 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.783 0.801 . . . . 1.3300000000000001 110.243 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.55 6.81 87.01 Favored Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.366 -0.834 . . . . 0.51000000000000001 113.723 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.438 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 52.8 ttt180 -133.09 134.27 44.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.937 0.368 . . . . 1.97 110.754 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.406 ' HD3' ' HB3' ' A' ' 97' ' ' ASN . 23.5 ttmm -67.53 123.45 20.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.983 0.421 . . . . 1.8700000000000001 110.147 177.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.58 160.15 15.9 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.305 -0.861 . . . . 0.20999999999999999 110.255 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 94.9 m-20 -111.01 115.35 29.33 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.843 -0.799 . . . . 1.53 108.843 177.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.467 HG22 HG13 ' A' ' 39' ' ' VAL . 91.1 t -114.39 128.18 71.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.05 -0.523 . . . . 0.38 111.596 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -152.73 153.55 33.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.875 -0.602 . . . . 0.60999999999999999 109.74 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.432 HD23 HG12 ' A' ' 37' ' ' ILE . 98.5 mt -56.48 130.35 44.55 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.756 -0.461 . . . . 0.23000000000000001 109.756 173.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.08 -32.11 69.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.328 0.862 . . . . 0.22 113.328 -168.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -67.85 -15.06 63.44 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.734 -0.386 . . . . 0.44 111.527 -176.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.5 mt -74.17 -8.14 55.11 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.594 0.59 . . . . 0.44 112.594 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -150.82 13.37 0.87 Allowed Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 120.182 -1.008 . . . . 0.38 112.311 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 115.873 -0.163 . . . . 0.57999999999999996 111.043 -179.088 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.661 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 34.9 p . . . . . 0 C--O 1.226 -0.175 0 CA-C-O 120.533 0.206 . . . . 0.76000000000000001 111.058 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 57.9 ttm -51.66 -54.74 24.76 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.003 0.742 . . . . 0.91000000000000003 113.003 -173.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.587 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 79.5 m-85 -105.34 -0.53 26.11 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 120.765 -0.374 . . . . 0.85999999999999999 111.274 -177.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.533 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 32.3 p -104.43 -25.03 12.97 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 111.803 0.298 . . . . 0.25 111.803 -175.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.661 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 54.4 tttm -87.69 112.05 21.95 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 121.299 0.571 . . . . 1.28 110.087 -177.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.66 HD11 ' HA ' ' A' ' 89' ' ' ALA . 67.0 mt -99.6 134.75 37.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.295 -0.866 . . . . 0.20999999999999999 110.173 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -99.13 123.77 43.67 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.097 -0.705 . . . . 0.29999999999999999 109.097 172.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.499 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 6.4 t -105.73 124.51 60.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.684 -0.487 . . . . 0.25 109.684 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.71 155.9 19.82 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.826 -0.702 . . . . 0.23999999999999999 112.501 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.16 26.97 60.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.711 -0.757 . . . . 0.23999999999999999 112.56 177.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.463 HD11 HD21 ' A' ' 51' ' ' LEU . 87.0 mt -84.64 142.98 40.29 Favored Pre-proline 0 C--N 1.323 -0.568 0 C-N-CA 122.214 0.206 . . . . 0.20000000000000001 110.501 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.527 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 18.8 Cg_endo -62.22 141.1 86.77 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.972 1.781 . . . . 0.28000000000000003 110.068 171.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -59.62 -30.19 68.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.492 0.553 . . . . 0.54000000000000004 112.492 -171.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.455 ' HD2' ' HB2' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -76.83 -10.16 59.18 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.166 0.432 . . . . 2.3700000000000001 112.166 -177.241 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.527 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 51.7 m -56.99 136.18 56.25 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.0 0.428 . . . . 0.34999999999999998 111.441 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.0 p -111.58 166.47 11.12 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.98 -0.555 . . . . 0.26000000000000001 110.928 -176.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -53.29 -36.13 60.85 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.606 -0.725 . . . . 0.55000000000000004 110.305 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.453 ' HB2' ' NZ ' ' A' ' 49' ' ' LYS . 4.0 ttmp? -60.58 -42.76 97.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.341 -0.845 . . . . 2.2400000000000002 110.855 178.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.454 ' HB ' HG23 ' A' ' 46' ' ' THR . 17.2 m -61.45 -41.44 97.22 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.838 0.351 . . . . 0.39000000000000001 110.711 -178.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.463 HD21 HD11 ' A' ' 42' ' ' LEU . 26.2 mt -71.31 -41.9 69.31 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.222 -0.445 . . . . 0.26000000000000001 110.484 177.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -56.26 -55.65 30.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.506 -0.77 . . . . 0.69999999999999996 110.702 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.17 -45.68 90.39 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.508 0.559 . . . . 2.6800000000000002 112.508 -177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -69.41 -53.35 19.81 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.541 -0.464 . . . . 0.84999999999999998 111.93 -172.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.504 ' HB2' HD11 ' A' ' 61' ' ' ILE . 69.0 m-85 -72.9 -28.36 62.42 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.807 1.04 . . . . 0.23999999999999999 113.807 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.506 ' HB3' HD12 ' A' ' 61' ' ' ILE . 15.9 pt-20 -70.0 -15.92 63.09 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.129 -0.628 . . . . 1.9299999999999999 110.927 -175.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -70.47 -7.63 44.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.482 -0.326 . . . . 2.0600000000000001 111.351 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -91.28 -15.06 29.77 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.872 0.368 . . . . 0.29999999999999999 110.507 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.11 -111.36 0.44 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.916 -0.659 . . . . 1.3600000000000001 112.615 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -127.07 123.76 37.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.736 0.303 . . . . 0.65000000000000002 111.171 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.506 HD12 ' HB3' ' A' ' 56' ' ' GLU . 25.5 mt -94.84 133.6 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.069 0.462 . . . . 0.22 111.248 174.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -88.59 -37.94 15.26 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.665 -0.698 . . . . 1.5900000000000001 110.268 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -159.33 134.31 8.14 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.155 -0.683 . . . . 2.2999999999999998 109.155 177.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.02 115.63 11.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.949 0.34 . . . . 0.17000000000000001 111.113 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.76 149.03 23.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.151 0.5 . . . . 0.32000000000000001 112.257 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.467 HG21 HG22 ' A' ' 46' ' ' THR . 99.0 t -91.02 135.15 27.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 107.861 -1.162 . . . . 0.23000000000000001 107.861 171.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.909 HG12 ' HA2' ' A' ' 79' ' ' GLY . 24.9 mm -84.02 126.5 40.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.262 0.553 . . . . 0.17000000000000001 111.073 -168.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.8 p -119.11 145.8 45.65 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.02 -0.991 . . . . 0.34000000000000002 108.804 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.408 ' HB3' ' OG1' ' A' ' 72' ' ' THR . 20.5 t70 -57.77 137.88 56.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.219 0.533 . . . . 0.64000000000000001 111.879 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -57.71 -33.76 68.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.139 -0.937 . . . . 5.2400000000000002 112.908 -176.508 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -97.24 -16.4 20.38 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.744 1.016 . . . . 1.6499999999999999 113.744 -173.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.408 ' OG1' ' HB3' ' A' ' 69' ' ' ASP . 33.0 p -123.28 -24.22 4.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.425 0.631 . . . . 0.70999999999999996 111.023 -173.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 64.78 29.4 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.402 -1.272 . . . . 1.4199999999999999 109.878 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -93.75 134.16 36.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.948 -1.024 . . . . 2.2000000000000002 109.701 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.5 m -60.27 134.37 56.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.177 0.513 . . . . 1.1499999999999999 110.856 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.4 mtp85 -91.89 11.08 26.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.511 0.672 . . . . 2.1600000000000001 109.949 -177.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.42 17.91 79.84 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.984 -1.007 . . . . 0.26000000000000001 112.88 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.499 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 26.4 p90 -154.89 167.39 30.46 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.361 -0.607 . . . . 0.46000000000000002 109.361 177.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.909 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -157.82 -171.51 23.87 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.297 -0.954 . . . . 0.14000000000000001 112.693 -176.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -133.18 138.85 46.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.918 0.866 . . . . 0.31 111.671 -178.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.4 t -123.32 124.74 70.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-N 113.908 -1.497 . . . . 0.28999999999999998 109.345 174.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.6 m -106.32 107.69 18.83 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.19 -1.041 . . . . 0.26000000000000001 108.19 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.524 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.2 mmm -85.59 140.61 30.47 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.9 -0.408 . . . . 0.42999999999999999 109.9 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -68.42 -17.59 64.25 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.535 -0.757 . . . . 1.46 110.613 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -141.37 148.36 39.52 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-O 120.843 0.354 . . . . 1.02 110.627 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.587 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 52.8 ttt180 -63.36 -42.98 98.93 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.912 -0.585 . . . . 2.9500000000000002 111.961 -177.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -61.96 -40.37 95.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.905 0.383 . . . . 0.27000000000000002 110.649 -172.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.3 m -64.54 -43.94 92.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.925 -0.579 . . . . 0.55000000000000004 110.153 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.66 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -62.99 -44.72 95.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.823 -0.626 . . . . 0.17000000000000001 111.363 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.418 ' HG2' ' NZ ' ' A' ' 94' ' ' LYS . 45.6 tt0 -69.94 -34.81 73.93 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.965 -0.562 . . . . 2.0800000000000001 111.913 -175.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 16.3 mtm180 -60.87 -39.69 90.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.938 -0.764 . . . . 3.23 108.938 175.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.89 98.48 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.476 -0.784 . . . . 0.20000000000000001 111.381 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.9 m -82.31 -11.75 58.43 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.404 0.52 . . . . 0.32000000000000001 112.404 -176.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -68.15 -31.74 71.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.778 0.323 . . . . 2.8999999999999999 110.175 -176.626 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -105.07 111.23 65.19 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.034 -0.728 . . . . 1.1200000000000001 109.034 172.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.622 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.0 Cg_endo -70.57 -13.47 32.65 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.434 2.09 . . . . 0.47999999999999998 114.462 -175.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.571 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 86.2 m-20 -134.36 64.21 63.81 Favored Pre-proline 0 N--CA 1.466 0.356 0 N-CA-C 112.965 0.728 . . . . 0.67000000000000004 112.965 -173.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 8.4 Cg_exo -73.99 145.18 35.3 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.594 2.196 . . . . 0.47999999999999998 111.43 171.124 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.3 mm -83.67 111.83 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.109 -0.33 . . . . 0.42999999999999999 110.109 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.4 mt -124.56 132.9 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.132 -0.486 . . . . 0.44 110.362 -178.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 t0 58.43 33.06 22.8 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.46 0.648 . . . . 1.3300000000000001 110.113 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.39 12.78 80.09 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 116.034 -0.53 . . . . 0.51000000000000001 113.138 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -134.23 141.08 46.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.979 0.418 . . . . 1.97 111.622 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' A' ' 104' ' ' LYS . 37.6 ttmt -66.76 119.54 12.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.879 0.371 . . . . 1.8700000000000001 110.524 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.571 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.53 159.38 16.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.047 -0.524 . . . . 0.20999999999999999 110.605 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.622 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 32.1 t-20 -113.07 116.34 29.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.214 -0.661 . . . . 1.53 109.214 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 38.4 t -111.6 140.94 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.107 0.479 . . . . 0.38 111.947 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -160.16 147.9 16.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.737 -0.665 . . . . 0.60999999999999999 109.484 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.9 mt -55.72 127.56 30.59 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.802 -0.444 . . . . 0.23000000000000001 109.802 171.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.61 -31.53 72.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.291 0.849 . . . . 0.22 113.291 -168.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -69.02 -17.83 63.96 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.444 -0.502 . . . . 0.44 110.857 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 81.2 mt -71.64 -7.9 50.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.924 -0.58 . . . . 0.44 112.182 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.17 13.36 1.09 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.373 -0.918 . . . . 0.38 112.449 -175.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 C-N-CA 120.761 -0.376 . . . . 0.57999999999999996 110.546 -179.833 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 111.807 0.299 . . . . 0.76000000000000001 111.807 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 76.3 mtp -56.5 -49.82 73.59 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.764 0.653 . . . . 0.91000000000000003 112.764 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -104.72 -0.13 27.72 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.969 -0.457 . . . . 0.85999999999999999 111.156 -173.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.8 p -109.97 -21.73 12.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.855 0.359 . . . . 0.25 111.881 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.502 ' HB2' HG22 ' A' ' 32' ' ' THR . 81.8 tttt -92.67 117.61 30.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 1.28 110.054 -175.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.593 HD11 ' HA ' ' A' ' 89' ' ' ALA . 63.3 mt -102.06 133.83 44.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.903 -0.59 . . . . 0.20999999999999999 110.365 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -98.6 124.09 43.17 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.35 -0.981 . . . . 0.29999999999999999 108.35 171.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.2 t -109.73 130.98 61.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.378 -0.601 . . . . 0.25 109.378 -177.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.23 165.25 20.47 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.086 -0.578 . . . . 0.23999999999999999 111.697 -173.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.99 10.18 67.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.565 -0.826 . . . . 0.23999999999999999 112.959 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.4 132.25 94.3 Favored Pre-proline 0 C--N 1.326 -0.425 0 C-N-CA 122.249 0.22 . . . . 0.20000000000000001 110.629 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.674 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 18.2 Cg_endo -59.71 143.23 99.68 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.086 1.857 . . . . 0.28000000000000003 109.79 174.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -62.32 -14.19 36.78 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.033 0.383 . . . . 0.54000000000000004 112.033 -173.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -75.07 -22.15 58.51 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 121.125 -0.23 . . . . 2.3700000000000001 111.3 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.6 m -54.65 130.72 41.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.816 0.341 . . . . 0.34999999999999998 111.571 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.8 p -111.91 165.38 12.14 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.306 -0.406 . . . . 0.26000000000000001 110.326 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -54.0 -35.35 61.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.705 -0.68 . . . . 0.55000000000000004 110.653 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.764 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 18.1 ttmm -65.5 -42.18 92.39 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.655 -0.702 . . . . 2.2400000000000002 110.616 177.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.1 m -61.61 -39.06 89.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.348 . . . . 0.39000000000000001 111.051 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.0 mt -70.9 -43.4 68.39 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.742 -0.466 . . . . 0.26000000000000001 109.742 177.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.451 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 52.7 t-80 -56.05 -56.29 22.61 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.601 -0.727 . . . . 0.69999999999999996 110.818 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.764 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 3.6 mm-40 -59.61 -39.94 85.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.748 0.277 . . . . 2.6800000000000002 111.748 -175.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -70.53 -55.49 8.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.992 0.425 . . . . 0.84999999999999998 111.676 -174.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.667 ' HB2' HD11 ' A' ' 61' ' ' ILE . 82.5 m-85 -74.34 -27.33 60.63 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.743 1.016 . . . . 0.23999999999999999 113.743 -176.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.472 ' HG2' ' HB ' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -61.16 -24.48 66.32 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.07 0.462 . . . . 1.9299999999999999 111.453 -177.537 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -72.29 -7.61 50.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.972 -0.558 . . . . 2.0600000000000001 111.993 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 82.9 m-85 -91.62 -31.67 15.78 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.421 0.526 . . . . 0.29999999999999999 112.421 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.837 ' HA3' ' HB3' ' A' ' 88' ' ' SER . . . 155.99 60.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 119.033 -1.556 . . . . 1.3600000000000001 114.273 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.429 ' HB3' ' HE3' ' A' ' 84' ' ' LYS . 2.8 m-20 72.82 123.17 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 124.309 1.044 . . . . 0.65000000000000002 113.382 171.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.667 HD11 ' HB2' ' A' ' 55' ' ' PHE . 13.7 mt -101.11 136.85 30.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.147 -0.933 . . . . 0.22 112.059 172.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.518 ' OE1' ' HE2' ' A' ' 84' ' ' LYS . 13.8 mm-40 -80.87 -48.98 11.62 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.515 -1.221 . . . . 1.5900000000000001 109.958 170.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -154.54 139.13 16.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.006 -0.997 . . . . 2.2999999999999998 110.555 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.472 ' HB2' HD13 ' A' ' 61' ' ' ILE . . . -137.36 114.62 10.9 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.188 -0.301 . . . . 0.17000000000000001 110.188 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.6 m -139.04 149.24 23.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.88 0.372 . . . . 0.32000000000000001 111.578 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.8 t -91.92 134.02 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.462 -0.94 . . . . 0.23000000000000001 108.462 170.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.847 HG12 ' HA2' ' A' ' 79' ' ' GLY . 29.9 mm -83.19 125.53 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 CA-C-O 121.662 0.744 . . . . 0.17000000000000001 111.071 -170.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 75' ' ' SER . 37.9 p -123.71 148.0 46.95 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 114.601 -1.181 . . . . 0.34000000000000002 108.838 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.418 ' OD2' ' HB2' ' A' ' 71' ' ' ASN . 4.7 t70 -57.52 136.41 56.71 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.843 -0.343 . . . . 0.64000000000000001 110.394 173.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -57.61 -39.2 76.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.05 0.453 . . . . 5.2400000000000002 111.167 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.418 ' HB2' ' OD2' ' A' ' 69' ' ' ASP . 52.6 m-80 -75.02 -58.68 3.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 1.6499999999999999 112.012 -172.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.3 p -92.39 -21.72 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.151 0.426 . . . . 0.70999999999999996 112.151 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 64.9 mt-30 67.89 27.89 7.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.367 -0.833 . . . . 1.4199999999999999 110.183 177.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -87.67 135.51 33.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.985 -1.007 . . . . 2.2000000000000002 109.468 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.513 ' HA ' HG22 ' A' ' 68' ' ' THR . 11.0 p -58.54 129.75 43.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.243 0.544 . . . . 1.1499999999999999 111.079 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -90.8 11.53 22.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.862 -0.608 . . . . 2.1600000000000001 110.424 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.3 18.27 79.81 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.457 -0.792 . . . . 0.26000000000000001 113.735 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.578 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 47.9 p90 -157.38 168.56 27.0 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.745 -0.465 . . . . 0.46000000000000002 109.745 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.847 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -159.28 -171.7 25.44 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.339 -0.934 . . . . 0.14000000000000001 112.629 -175.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.435 ' HD1' HD11 ' A' ' 67' ' ' ILE . 55.4 m-85 -131.27 139.24 49.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.563 0.697 . . . . 0.31 112.028 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.6 t -125.59 127.33 71.53 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 114.612 -1.176 . . . . 0.28999999999999998 109.027 167.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.8 m -104.47 110.18 22.35 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 107.554 -1.276 . . . . 0.26000000000000001 107.554 173.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.549 ' CE ' ' HB2' ' A' ' 88' ' ' SER . 97.7 mmm -84.53 153.7 23.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.105 0.479 . . . . 0.42999999999999999 109.854 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.518 ' HE2' ' OE1' ' A' ' 62' ' ' GLU . 26.4 ttmt -73.69 -17.95 61.07 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.165 -0.925 . . . . 1.46 110.636 -176.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -145.27 154.22 42.13 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.994 -0.548 . . . . 1.02 110.433 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -65.17 -42.54 93.57 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.705 -0.68 . . . . 2.9500000000000002 111.826 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.741 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -66.83 -39.92 87.81 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.28 -0.168 . . . . 0.27000000000000002 111.179 -175.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.837 ' HB3' ' HA3' ' A' ' 59' ' ' GLY . 1.4 p -61.83 -44.01 97.69 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.356 0.598 . . . . 0.55000000000000004 109.785 177.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.593 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -62.19 -41.56 98.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.07 -0.968 . . . . 0.17000000000000001 110.917 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -70.73 -38.77 73.61 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 112.571 0.582 . . . . 2.0800000000000001 112.571 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.741 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 90.1 mtt180 -61.7 -36.25 80.36 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 119.811 -0.756 . . . . 3.23 109.091 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -64.9 -37.63 88.27 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.067 -0.969 . . . . 0.20000000000000001 111.551 172.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 78.5 m -80.01 -11.65 59.77 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.559 0.219 . . . . 0.32000000000000001 111.521 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HA ' ' HD2' ' A' ' 94' ' ' LYS . 24.1 tptp -71.23 -26.47 62.94 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.677 -0.409 . . . . 2.8999999999999999 110.404 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -103.26 89.73 2.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 108.011 -1.107 . . . . 1.1200000000000001 108.011 168.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.422 ' C ' ' HD3' ' A' ' 98' ' ' PRO . 58.1 Cg_endo -70.03 -14.39 35.16 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.733 2.288 . . . . 0.47999999999999998 113.283 -171.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.614 ' ND2' ' HD3' ' A' ' 104' ' ' LYS . 11.0 m-20 -128.87 59.87 46.35 Favored Pre-proline 0 C--O 1.237 0.447 0 N-CA-C 111.754 0.279 . . . . 0.67000000000000004 111.754 -175.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.422 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 5.3 Cg_exo -73.1 146.12 40.59 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.587 2.192 . . . . 0.47999999999999998 112.205 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.5 mm -84.79 110.98 19.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.097 0.475 . . . . 0.42999999999999999 110.409 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.5 mt -121.98 119.87 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.727 -0.669 . . . . 0.44 110.012 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.47 ' HB3' ' CG ' ' A' ' 43' ' ' PRO . 22.2 t70 59.67 34.95 22.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.808 0.813 . . . . 1.3300000000000001 110.516 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.4 0.31 86.53 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.592 -0.731 . . . . 0.51000000000000001 113.672 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.674 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 17.9 tpt180 -116.05 137.59 51.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.057 0.428 . . . . 1.97 110.331 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.614 ' HD3' ' ND2' ' A' ' 97' ' ' ASN . 24.2 ttmm -71.43 119.34 15.44 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.641 -0.503 . . . . 1.8700000000000001 109.641 173.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.03 159.78 16.04 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.212 -0.449 . . . . 0.20999999999999999 110.999 -176.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -104.04 135.03 46.31 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.415 -0.811 . . . . 1.53 109.471 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 61.6 t -132.15 127.22 57.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.219 -0.446 . . . . 0.38 111.139 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -159.28 148.22 18.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.881 -0.6 . . . . 0.60999999999999999 109.87 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.8 mt -56.11 127.35 30.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.12 -0.696 . . . . 0.23000000000000001 109.12 172.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.72 -35.39 68.49 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.906 0.706 . . . . 0.22 112.906 -170.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.36 -19.15 65.39 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.77 -0.372 . . . . 0.44 111.206 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.5 mt -72.52 -7.85 52.13 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 112.236 0.458 . . . . 0.44 112.236 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.12 13.56 2.34 Favored Glycine 0 C--N 1.322 -0.231 0 N-CA-C 111.144 -0.782 . . . . 0.38 111.144 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.435 -0.383 . . . . 0.57999999999999996 110.548 -179.308 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.497 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 120.727 0.299 . . . . 0.76000000000000001 111.242 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.3 ttt -53.62 -51.49 62.91 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.316 0.487 . . . . 0.91000000000000003 112.316 -177.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -105.33 0.75 27.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.826 0.346 . . . . 0.85999999999999999 111.709 -174.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.497 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 10.7 p -108.13 -17.27 14.07 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.95 0.405 . . . . 0.25 111.426 -176.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -89.34 113.87 25.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.088 -0.505 . . . . 1.28 110.239 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.658 HD11 ' HA ' ' A' ' 89' ' ' ALA . 57.6 mt -100.61 134.64 39.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.632 -0.713 . . . . 0.20999999999999999 110.721 -178.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -100.43 123.62 44.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.523 -0.547 . . . . 0.29999999999999999 109.523 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.592 HG13 HG22 ' A' ' 107' ' ' VAL . 5.2 t -106.22 125.83 61.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.945 -0.391 . . . . 0.25 109.945 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.4 157.46 20.84 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.168 -0.539 . . . . 0.23999999999999999 112.212 -173.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.51 ' O ' ' HD3' ' A' ' 103' ' ' ARG . . . 84.49 5.51 86.82 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.719 -0.753 . . . . 0.23999999999999999 112.639 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.93 130.04 93.97 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 122.315 0.246 . . . . 0.20000000000000001 111.201 -177.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 9.9 Cg_endo -57.08 143.37 93.14 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.21 1.94 . . . . 0.28000000000000003 109.91 170.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -59.93 -28.35 67.53 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.193 0.442 . . . . 0.54000000000000004 112.193 -172.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.405 ' CE1' ' OD1' ' A' ' 101' ' ' ASP . 14.3 p-80 -81.12 -8.3 59.74 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.723 0.638 . . . . 2.3700000000000001 112.723 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.429 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 49.9 m -56.13 138.63 49.42 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.86 0.362 . . . . 0.34999999999999998 111.165 173.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.5 p -110.71 161.76 15.44 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 121.22 0.533 . . . . 0.26000000000000001 111.256 -176.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -53.8 -34.26 58.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.413 -0.812 . . . . 0.55000000000000004 110.72 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -67.28 -36.22 81.1 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 116.21 -0.45 . . . . 2.2400000000000002 110.805 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.421 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 22.1 m -65.37 -39.14 91.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.703 0.287 . . . . 0.39000000000000001 111.174 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.41 HD22 ' HE1' ' A' ' 55' ' ' PHE . 25.1 mt -70.41 -42.82 71.13 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.095 -0.642 . . . . 0.26000000000000001 109.765 177.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -55.81 -56.51 19.71 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.687 -0.688 . . . . 0.69999999999999996 110.656 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HA ' ' OE2' ' A' ' 56' ' ' GLU . 9.3 pt-20 -60.29 -41.99 94.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.889 0.7 . . . . 2.6800000000000002 112.889 -174.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -69.78 -52.91 21.1 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.382 -0.372 . . . . 0.84999999999999998 110.857 -175.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.426 ' HB2' HD11 ' A' ' 61' ' ' ILE . 71.3 m-85 -74.56 -27.66 60.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.614 0.968 . . . . 0.23999999999999999 113.614 -177.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.428 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 11.1 pt-20 -64.53 -21.29 66.65 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.009 0.433 . . . . 1.9299999999999999 110.945 -175.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -72.26 -7.75 51.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.233 -0.439 . . . . 2.0600000000000001 111.181 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -91.62 1.44 57.15 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.63 -0.259 . . . . 0.29999999999999999 111.553 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.92 -120.16 1.23 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.159 -1.019 . . . . 1.3600000000000001 113.003 -175.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -126.97 128.98 47.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.65 0.262 . . . . 0.65000000000000002 110.727 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.465 HG12 ' SD ' ' A' ' 83' ' ' MET . 31.6 mt -100.83 139.92 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.216 0.532 . . . . 0.22 111.883 176.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -88.04 -46.23 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.132 -0.94 . . . . 1.5900000000000001 110.073 172.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -145.69 134.82 22.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.976 -0.557 . . . . 2.2999999999999998 109.603 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.46 113.18 10.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 118.193 0.452 . . . . 0.17000000000000001 110.08 173.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 m -140.06 150.56 21.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.063 0.458 . . . . 0.32000000000000001 112.038 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.8 t -95.27 134.21 33.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 107.226 -1.398 . . . . 0.23000000000000001 107.226 168.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.874 HG12 ' HA2' ' A' ' 79' ' ' GLY . 21.5 mm -82.45 128.42 38.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.248 0.547 . . . . 0.17000000000000001 111.438 -167.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.444 HG22 ' HA ' ' A' ' 75' ' ' SER . 38.8 p -124.87 145.69 49.67 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.013 -0.994 . . . . 0.34000000000000002 108.933 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 73' ' ' GLN . 25.9 t70 -59.01 138.23 57.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.002 0.371 . . . . 0.64000000000000001 112.002 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -27.88 67.68 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.761 1.023 . . . . 5.2400000000000002 113.761 -177.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -97.71 -50.52 4.43 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.55 0.574 . . . . 1.6499999999999999 112.55 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.1 p -89.69 -16.47 30.34 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.25 0.548 . . . . 0.70999999999999996 111.111 -175.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 87.9 mt-30 62.08 29.46 17.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.768 -1.106 . . . . 1.4199999999999999 110.648 175.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -92.81 133.37 36.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.793 -0.64 . . . . 2.2000000000000002 110.401 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.444 ' HA ' HG22 ' A' ' 68' ' ' THR . 3.8 m -59.19 128.02 35.06 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 123.476 0.485 . . . . 1.1499999999999999 110.365 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.586 ' HD2' HG22 ' A' ' 67' ' ' ILE . 78.1 mtt180 -89.72 12.98 15.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.711 -0.677 . . . . 2.1600000000000001 111.398 -171.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.25 11.17 82.1 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.695 -0.764 . . . . 0.26000000000000001 113.501 -178.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 35.1 p90 -152.32 167.11 29.74 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.758 -0.46 . . . . 0.46000000000000002 109.758 178.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.874 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -154.75 -176.53 27.1 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.414 -0.898 . . . . 0.14000000000000001 112.794 -175.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.434 ' HD1' HD11 ' A' ' 67' ' ' ILE . 53.0 m-85 -133.83 138.92 45.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.93 0.872 . . . . 0.31 112.238 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.2 t -128.73 126.64 65.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 114.156 -1.384 . . . . 0.28999999999999998 109.662 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.4 m -104.54 110.21 22.41 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.748 -0.834 . . . . 0.26000000000000001 108.748 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.596 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.5 mmm -84.36 140.21 31.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.336 0.589 . . . . 0.42999999999999999 109.918 -178.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.427 ' HB2' ' HE3' ' A' ' 84' ' ' LYS . 32.5 ttmt -68.78 -16.45 63.8 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.939 -1.028 . . . . 1.46 110.609 -179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.8 146.42 39.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.067 -0.515 . . . . 1.02 110.459 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -67.0 -42.45 84.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.934 -0.575 . . . . 2.9500000000000002 112.417 -176.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.649 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -62.45 -41.03 98.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.809 0.337 . . . . 0.27000000000000002 110.379 -176.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -62.4 -43.73 98.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.832 -0.622 . . . . 0.55000000000000004 109.845 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.658 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -62.19 -41.52 98.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.338 -0.846 . . . . 0.17000000000000001 110.959 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -69.68 -39.07 77.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.921 -0.581 . . . . 2.0800000000000001 111.376 -176.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.649 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 21.2 mmm180 -60.66 -39.26 87.71 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.848 -0.427 . . . . 3.23 109.848 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.58 94.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.609 -0.723 . . . . 0.20000000000000001 111.295 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.8 m -82.13 -14.81 55.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.535 . . . . 0.32000000000000001 112.215 -176.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 94' ' ' LYS . 42.6 tptt -70.81 -31.79 68.64 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.007 -0.277 . . . . 2.8999999999999999 111.259 -172.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -109.23 88.18 5.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 108.032 -1.099 . . . . 1.1200000000000001 108.032 169.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.566 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 58.0 Cg_endo -69.72 0.9 4.95 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 123.499 2.799 . . . . 0.47999999999999998 114.28 -168.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 89.8 m-20 -125.59 57.62 18.62 Favored Pre-proline 0 CA--C 1.535 0.384 0 N-CA-C 112.339 0.496 . . . . 0.67000000000000004 112.339 -177.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.512 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 3.4 Cg_exo -74.85 144.67 31.1 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.449 2.099 . . . . 0.47999999999999998 111.887 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.2 mm -82.18 109.41 16.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.113 -0.699 . . . . 0.42999999999999999 109.113 173.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.1 mt -123.89 121.58 62.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.684 -0.689 . . . . 0.44 110.221 -177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.405 ' OD1' ' CE1' ' A' ' 45' ' ' HIS . 26.5 t0 59.79 37.98 21.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.914 0.864 . . . . 1.3300000000000001 110.26 176.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.94 11.92 85.09 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 114.851 -1.068 . . . . 0.51000000000000001 114.189 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.51 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 60.9 ttt180 -133.81 149.87 51.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.416 0.608 . . . . 1.97 110.474 176.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -77.99 121.76 24.64 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.54 -0.541 . . . . 1.8700000000000001 109.54 174.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.521 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.13 159.34 16.39 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.771 -0.649 . . . . 0.20999999999999999 110.623 -176.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.566 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 77.9 m-20 -114.84 115.6 27.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.144 -0.687 . . . . 1.53 109.144 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.592 HG22 HG13 ' A' ' 39' ' ' VAL . 57.2 t -120.26 138.28 51.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.956 0.407 . . . . 0.38 111.833 -174.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -158.77 159.7 35.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.914 -0.585 . . . . 0.60999999999999999 110.188 174.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 98.4 mt -55.77 132.23 48.78 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.85 0.357 . . . . 0.23000000000000001 110.066 173.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.89 -33.12 75.0 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.25 0.833 . . . . 0.22 113.25 -167.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -68.08 -12.11 60.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.851 0.358 . . . . 0.44 111.243 -175.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.4 mt -74.87 -8.1 55.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.44 112.126 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -153.35 13.51 0.61 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.401 -0.904 . . . . 0.38 112.051 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 120.99 0.424 . . . . 0.57999999999999996 111.707 -177.437 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.642 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 7.0 p . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 112.062 0.393 . . . . 0.76000000000000001 112.062 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.2 ttt -51.9 -55.5 19.81 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.407 0.892 . . . . 0.91000000000000003 113.407 -171.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.553 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 66.1 m-85 -107.74 -2.08 20.37 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.628 -0.429 . . . . 0.85999999999999999 112.046 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.1 p -102.64 -18.93 15.0 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 111.857 0.317 . . . . 0.25 111.857 -173.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.642 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 87.1 tttt -92.95 113.55 25.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.354 0.597 . . . . 1.28 110.903 -177.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.615 HD11 ' HA ' ' A' ' 89' ' ' ALA . 64.0 mt -100.88 134.52 40.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.3 -0.864 . . . . 0.20999999999999999 110.372 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -93.55 123.1 36.64 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.258 -0.645 . . . . 0.29999999999999999 109.258 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 6.5 t -105.11 119.7 54.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.984 -0.747 . . . . 0.25 108.984 178.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.85 154.46 19.3 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.824 -0.703 . . . . 0.23999999999999999 112.337 -172.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.49 23.84 64.25 Favored Glycine 0 C--O 1.23 -0.137 0 C-N-CA 120.729 -0.748 . . . . 0.23999999999999999 112.807 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.9 mt -78.99 140.99 58.14 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.639 0.256 . . . . 0.20000000000000001 110.818 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 33.9 Cg_endo -66.49 148.22 83.48 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.049 1.833 . . . . 0.28000000000000003 110.239 171.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -64.85 -14.67 60.22 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 111.764 0.283 . . . . 0.54000000000000004 111.764 -176.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -75.53 -21.56 57.85 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 121.048 -0.261 . . . . 2.3700000000000001 111.296 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -55.91 131.12 46.3 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.182 0.515 . . . . 0.34999999999999998 112.038 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.7 p -111.42 163.62 13.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.637 -0.71 . . . . 0.26000000000000001 109.765 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.06 -35.52 64.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.298 0.571 . . . . 0.55000000000000004 110.679 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 2.7 ttmp? -62.37 -42.19 99.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.801 . . . . 2.2400000000000002 110.893 175.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.7 m -61.22 -39.36 89.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.39000000000000001 110.934 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.7 mt -71.4 -44.73 64.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.074 0.464 . . . . 0.26000000000000001 110.139 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -56.4 -55.49 32.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.437 -0.802 . . . . 0.69999999999999996 111.018 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 8.4 mm-40 -61.2 -41.39 96.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.858 0.688 . . . . 2.6800000000000002 112.858 -177.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -70.72 -53.17 16.62 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.569 -0.453 . . . . 0.84999999999999998 111.731 -176.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.49 ' CD1' HG21 ' A' ' 81' ' ' VAL . 62.2 m-85 -71.92 -26.64 62.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.328 0.862 . . . . 0.23999999999999999 113.328 -176.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -64.1 -17.59 63.57 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.741 -0.384 . . . . 1.9299999999999999 111.19 -176.795 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -67.47 -8.86 36.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 2.0600000000000001 111.77 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -91.66 -14.33 30.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.586 0.231 . . . . 0.29999999999999999 110.989 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 160.72 -107.23 0.31 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.744 -0.741 . . . . 1.3600000000000001 112.231 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -131.21 136.09 47.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.088 0.471 . . . . 0.65000000000000002 111.457 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.468 HG12 ' SD ' ' A' ' 83' ' ' MET . 47.6 mt -107.79 134.4 49.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.639 -0.709 . . . . 0.22 110.202 177.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -81.42 -41.91 21.18 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.037 -0.727 . . . . 1.5900000000000001 109.037 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -159.41 138.79 11.35 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.182 -0.917 . . . . 2.2999999999999998 110.34 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.438 ' HB2' HG21 ' A' ' 61' ' ' ILE . . . -136.26 115.42 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.106 -0.331 . . . . 0.17000000000000001 110.106 178.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.8 m -137.6 152.01 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.953 0.406 . . . . 0.32000000000000001 111.909 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.26 134.74 33.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.196 -1.039 . . . . 0.23000000000000001 108.196 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.489 HG12 ' HA2' ' A' ' 79' ' ' GLY . 20.5 mm -89.07 126.39 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.823 0.82 . . . . 0.17000000000000001 111.136 -169.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.619 HG22 ' HA ' ' A' ' 75' ' ' SER . 74.2 p -122.16 154.16 37.8 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.359 -1.291 . . . . 0.34000000000000002 109.518 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -56.0 125.48 21.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.808 -0.442 . . . . 0.64000000000000001 109.808 171.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -59.15 -22.0 60.23 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.749 0.648 . . . . 5.2400000000000002 112.749 -173.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -90.28 -53.68 4.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.76 0.281 . . . . 1.6499999999999999 111.76 -175.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.6 p -91.97 -17.56 24.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.963 0.411 . . . . 0.70999999999999996 111.334 -176.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 64.67 32.02 11.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.499 -0.773 . . . . 1.4199999999999999 110.748 175.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -100.64 140.97 34.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.027 -0.988 . . . . 2.2000000000000002 109.713 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.619 ' HA ' HG22 ' A' ' 68' ' ' THR . 33.4 t -59.3 135.2 57.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.286 0.565 . . . . 1.1499999999999999 111.616 -176.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -97.04 10.03 40.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.246 -0.888 . . . . 2.1600000000000001 109.564 176.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.6 23.28 75.68 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 114.965 -1.016 . . . . 0.26000000000000001 114.224 177.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.515 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 55.3 p90 -156.01 168.42 27.3 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 117.326 0.563 . . . . 0.46000000000000002 109.55 175.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.489 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -154.14 -175.29 25.21 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.187 -1.006 . . . . 0.14000000000000001 112.731 -175.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -130.9 137.63 49.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.614 0.721 . . . . 0.31 110.929 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.49 HG21 ' CD1' ' A' ' 55' ' ' PHE . 25.3 t -122.11 122.02 65.48 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 114.569 -1.196 . . . . 0.28999999999999998 109.013 172.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.9 m -108.37 110.48 22.04 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 107.958 -1.127 . . . . 0.26000000000000001 107.958 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.583 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.1 mmm -83.17 144.46 29.8 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.714 -0.476 . . . . 0.42999999999999999 109.714 -176.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -67.22 -17.82 64.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.453 -0.794 . . . . 1.46 110.175 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.75 146.43 39.51 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.83 -0.623 . . . . 1.02 110.946 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.553 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 71.1 ttt180 -62.76 -42.89 99.89 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.419 -0.809 . . . . 2.9500000000000002 112.602 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.66 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -64.56 -41.04 96.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.8 0.333 . . . . 0.27000000000000002 110.896 -175.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 m -62.99 -40.57 98.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.038 -0.528 . . . . 0.55000000000000004 109.838 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.615 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -62.85 -41.22 99.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.58 -0.736 . . . . 0.17000000000000001 111.199 178.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -69.29 -36.76 77.37 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.892 -0.595 . . . . 2.0800000000000001 111.462 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 54.7 mtt180 -59.54 -41.83 90.98 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.302 -0.629 . . . . 3.23 109.302 177.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.14 -38.8 90.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.101 -0.954 . . . . 0.20000000000000001 111.374 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 65.9 m -81.3 -10.31 59.59 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 112.355 0.502 . . . . 0.32000000000000001 112.355 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -73.31 -32.92 64.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.607 0.241 . . . . 2.8999999999999999 110.756 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -106.78 91.19 5.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.342 -0.984 . . . . 1.1200000000000001 108.342 171.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.493 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 53.2 Cg_endo -69.68 -4.03 13.15 Favored 'Trans proline' 0 N--CA 1.467 -0.082 0 C-N-CA 123.055 2.504 . . . . 0.47999999999999998 113.85 -172.418 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.531 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 88.8 m-20 -127.28 58.64 31.85 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 113.15 0.796 . . . . 0.67000000000000004 113.15 -175.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.467 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 4.3 Cg_exo -74.22 142.79 30.99 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.555 2.17 . . . . 0.47999999999999998 112.204 177.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.1 mm -81.31 112.13 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 110.057 -0.349 . . . . 0.42999999999999999 110.057 174.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.6 mt -122.21 120.23 60.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.206 -0.452 . . . . 0.44 110.21 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.2 t70 58.86 39.26 24.12 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 122.04 0.924 . . . . 1.3300000000000001 110.483 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.0 13.75 80.74 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.202 -0.908 . . . . 0.51000000000000001 113.272 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.465 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 62.6 ttt180 -134.22 139.88 46.1 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 117.139 0.47 . . . . 1.97 110.901 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.523 ' HD3' ' HB3' ' A' ' 97' ' ' ASN . 24.5 ttmm -74.83 126.9 31.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 1.8700000000000001 110.172 178.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -108.56 160.11 16.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.585 -0.734 . . . . 0.20999999999999999 110.678 -177.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.493 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 89.0 m-20 -110.69 114.93 28.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.994 -0.743 . . . . 1.53 108.994 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.3 t -116.44 131.32 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.278 0.473 . . . . 0.38 112.278 -173.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -155.51 157.69 37.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.60999999999999999 110.225 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.6 mt -55.78 127.71 31.41 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.651 -0.5 . . . . 0.23000000000000001 109.651 172.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.6 -31.74 72.94 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.623 0.971 . . . . 0.22 113.623 -166.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -68.15 -14.52 63.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.847 0.356 . . . . 0.44 111.501 -175.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.4 mt -78.21 -8.2 58.04 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.395 0.517 . . . . 0.44 112.395 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -141.64 11.82 2.69 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 120.138 -1.03 . . . . 0.38 112.997 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.916 0.358 . . . . 0.57999999999999996 110.95 -178.229 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.665 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 6.9 p . . . . . 0 N--CA 1.449 -0.523 0 N-CA-C 111.932 0.345 . . . . 0.76000000000000001 111.932 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.3 ttt -51.7 -53.71 36.19 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.842 0.682 . . . . 0.91000000000000003 112.842 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -106.45 1.0 25.22 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.072 0.397 . . . . 0.85999999999999999 112.072 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.592 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 34.0 p -106.06 -17.25 14.39 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.788 -0.365 . . . . 0.25 111.845 -175.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.665 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 84.7 tttt -93.69 113.58 25.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.484 0.659 . . . . 1.28 110.829 -176.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' A' ' 89' ' ' ALA . 63.5 mt -102.03 134.73 41.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.915 -1.039 . . . . 0.20999999999999999 110.786 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -99.6 124.11 44.5 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.407 -0.59 . . . . 0.29999999999999999 109.407 174.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.66 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.4 t -106.77 127.02 62.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.484 -0.562 . . . . 0.25 109.484 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.18 161.28 21.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.295 -0.479 . . . . 0.23999999999999999 112.51 -175.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.23 13.08 83.68 Favored Glycine 0 C--O 1.229 -0.185 0 C-N-CA 121.087 -0.578 . . . . 0.23999999999999999 112.707 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.8 mt -76.51 138.07 67.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.534 0.207 . . . . 0.20000000000000001 111.017 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.496 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 9.6 Cg_endo -59.68 142.4 98.7 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.867 1.711 . . . . 0.28000000000000003 110.269 171.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -58.53 -30.96 67.49 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.419 0.526 . . . . 0.54000000000000004 112.419 -171.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.441 ' HD2' ' HB2' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -82.65 -3.74 56.72 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.821 0.674 . . . . 2.3700000000000001 112.821 -176.137 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.2 m -55.08 139.06 42.71 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 117.907 0.321 . . . . 0.34999999999999998 110.527 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.1 p -111.02 162.48 14.82 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 120.94 0.4 . . . . 0.26000000000000001 110.794 -177.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.04 -33.58 57.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.445 -0.798 . . . . 0.55000000000000004 110.269 176.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.627 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 40.2 ttmt -62.11 -44.46 96.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.834 -0.621 . . . . 2.2400000000000002 110.985 176.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.3 m -61.43 -39.69 91.73 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.214 0.531 . . . . 0.39000000000000001 110.809 -176.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 48.7 mt -71.28 -39.81 71.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.791 -0.64 . . . . 0.26000000000000001 109.931 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -55.9 -55.54 31.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.873 -1.058 . . . . 0.69999999999999996 110.792 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 7.0 mm-40 -60.0 -44.95 94.2 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.931 0.715 . . . . 2.6800000000000002 112.931 -177.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.05 -52.86 20.63 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.385 -0.526 . . . . 0.84999999999999998 112.109 -173.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -70.22 -27.75 64.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.508 0.929 . . . . 0.23999999999999999 113.508 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -68.1 -15.28 63.52 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.378 -0.529 . . . . 1.9299999999999999 110.881 -177.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -68.95 -10.66 58.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.445 -0.343 . . . . 2.0600000000000001 111.27 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 72.3 m-85 -91.9 -15.97 27.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.64 -0.255 . . . . 0.29999999999999999 111.466 177.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.31 -115.31 0.63 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.53 -0.843 . . . . 1.3600000000000001 112.786 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.44 ' HB2' ' HB3' ' A' ' 84' ' ' LYS . 29.4 m-20 -125.96 132.9 51.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.731 -0.276 . . . . 0.65000000000000002 110.307 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.456 HG12 ' SD ' ' A' ' 83' ' ' MET . 43.1 mt -105.21 140.24 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.168 0.509 . . . . 0.22 112.349 178.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -77.3 -54.55 6.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.129 -0.941 . . . . 1.5900000000000001 109.545 170.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -155.44 141.99 18.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.299 -1.319 . . . . 2.2999999999999998 110.11 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.51 115.3 12.13 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.023 -0.362 . . . . 0.17000000000000001 110.023 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.15 152.66 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.606 0.595 . . . . 0.32000000000000001 112.606 -174.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.2 t -98.13 135.54 32.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.316 -0.994 . . . . 0.23000000000000001 108.316 171.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.501 HG12 ' HA2' ' A' ' 79' ' ' GLY . 8.0 mm -83.91 127.7 39.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.679 0.752 . . . . 0.17000000000000001 112.093 -170.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.602 HG22 ' HA ' ' A' ' 75' ' ' SER . 34.5 p -126.32 147.42 49.73 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 114.487 -1.233 . . . . 0.34000000000000002 109.29 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.09 132.25 52.35 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.64000000000000001 110.65 174.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.479 ' CD ' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -63.68 -21.13 66.22 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.266 0.839 . . . . 5.2400000000000002 113.266 -176.474 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -90.08 -55.98 3.4 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.748 -0.381 . . . . 1.6499999999999999 111.867 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.7 p -92.54 -18.65 22.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.949 0.351 . . . . 0.70999999999999996 111.949 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 68.42 30.69 5.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.313 -0.858 . . . . 1.4199999999999999 111.03 176.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -95.95 134.67 38.67 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.211 -0.45 . . . . 2.2000000000000002 110.008 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.602 ' HA ' HG22 ' A' ' 68' ' ' THR . 38.1 t -59.56 137.27 58.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.244 0.545 . . . . 1.1499999999999999 111.635 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -96.39 7.98 45.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.52 -0.764 . . . . 2.1600000000000001 110.746 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.18 24.62 73.05 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.496 -0.859 . . . . 0.26000000000000001 113.99 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.66 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 34.7 p90 -158.54 168.47 26.83 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 117.159 0.479 . . . . 0.46000000000000002 109.942 175.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.501 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -152.8 -175.46 24.32 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.004 -1.093 . . . . 0.14000000000000001 113.562 -173.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -132.52 139.87 48.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.421 0.629 . . . . 0.31 111.593 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.9 t -122.0 129.94 74.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 114.703 -1.135 . . . . 0.28999999999999998 109.747 170.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -105.33 109.6 21.64 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.99 -1.115 . . . . 0.26000000000000001 107.99 173.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.456 ' SD ' HG12 ' A' ' 61' ' ' ILE . 95.2 mmm -85.4 150.02 25.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.186 0.517 . . . . 0.42999999999999999 110.919 -177.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.44 ' HB3' ' HB2' ' A' ' 60' ' ' ASP . 20.1 ttmm -72.71 -18.36 61.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.298 -0.864 . . . . 1.46 110.696 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -146.8 150.95 36.31 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.213 0.53 . . . . 1.02 110.595 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.87 -38.97 83.74 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.258 -0.883 . . . . 2.9500000000000002 112.402 -177.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -63.54 -44.39 94.34 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 121.013 -0.275 . . . . 0.27000000000000002 110.677 -175.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -63.86 -39.73 94.89 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.579 -0.526 . . . . 0.55000000000000004 109.579 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.528 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -62.5 -42.05 99.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.588 -0.733 . . . . 0.17000000000000001 111.091 178.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.06 -37.21 75.44 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 120.599 -0.44 . . . . 2.0800000000000001 111.209 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 21.0 mtp180 -60.3 -36.98 79.12 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.373 -0.531 . . . . 3.23 109.83 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.478 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -63.17 -41.67 99.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.875 -0.602 . . . . 0.20000000000000001 111.312 173.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 61.3 m -82.35 -10.73 58.96 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.933 0.345 . . . . 0.32000000000000001 111.933 -175.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 94' ' ' LYS . 12.1 tptm -74.37 -28.15 60.99 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.97 0.415 . . . . 2.8999999999999999 110.161 -174.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -112.07 89.95 12.73 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 107.692 -1.225 . . . . 1.1200000000000001 107.692 168.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.454 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.1 Cg_endo -69.55 3.62 2.57 Favored 'Trans proline' 0 N--CA 1.466 -0.124 0 C-N-CA 123.046 2.497 . . . . 0.47999999999999998 114.314 -170.157 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.693 ' HB3' ' HD2' ' A' ' 104' ' ' LYS . 80.9 m-20 -131.34 62.92 67.8 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 113.012 0.745 . . . . 0.67000000000000004 113.012 -176.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.27 147.3 29.19 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.293 1.995 . . . . 0.47999999999999998 112.325 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 42.1 mm -83.45 116.87 28.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.93 0.395 . . . . 0.42999999999999999 110.522 172.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.6 mt -125.84 120.61 57.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.949 -0.568 . . . . 0.44 110.194 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.409 ' OD1' ' NE2' ' A' ' 45' ' ' HIS . 36.2 t70 59.58 37.38 22.66 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 122.04 0.924 . . . . 1.3300000000000001 110.414 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.86 5.08 68.63 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.553 -0.749 . . . . 0.51000000000000001 112.994 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.496 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 24.9 tpt180 -115.82 143.66 45.1 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.903 0.383 . . . . 1.97 110.395 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.693 ' HD2' ' HB3' ' A' ' 97' ' ' ASN . 16.7 tppt? -77.92 119.51 21.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.126 -0.488 . . . . 1.8700000000000001 109.896 175.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.496 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.05 158.17 17.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.06 0.457 . . . . 0.20999999999999999 111.573 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 7.4 m-20 -114.39 115.57 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.476 -0.784 . . . . 1.53 109.061 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.457 HG22 HG13 ' A' ' 39' ' ' VAL . 90.7 t -118.27 132.46 68.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 112.428 0.529 . . . . 0.38 112.428 -176.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -152.08 156.25 39.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.577 -0.738 . . . . 0.60999999999999999 110.079 174.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.8 mt -55.19 130.29 41.56 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.625 -0.509 . . . . 0.23000000000000001 109.625 172.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.56 -35.9 77.18 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.097 0.777 . . . . 0.22 113.097 -169.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -69.41 -14.92 63.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.893 0.378 . . . . 0.44 110.889 -174.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.6 mt -75.21 -8.8 57.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.065 -0.516 . . . . 0.44 111.801 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -137.05 13.86 3.82 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.445 -0.883 . . . . 0.38 111.959 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.433 0 N-CA-C 109.981 -0.377 . . . . 0.57999999999999996 109.981 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.654 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 1.2 p . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 111.844 0.312 . . . . 0.76000000000000001 111.844 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.1 ttt -52.23 -54.66 28.29 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 112.345 0.498 . . . . 0.91000000000000003 112.345 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.598 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 64.4 m-85 -106.28 -3.35 21.33 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.807 -0.357 . . . . 0.85999999999999999 111.654 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.645 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 24.0 p -101.7 -23.07 14.29 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.735 -0.386 . . . . 0.25 111.854 -173.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.654 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 58.5 tttm -90.81 113.5 25.66 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.238 0.542 . . . . 1.28 110.308 -177.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.496 HD11 ' HA ' ' A' ' 89' ' ' ALA . 71.2 mt -101.51 135.12 39.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.441 -0.8 . . . . 0.20999999999999999 109.96 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -98.37 127.86 44.5 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.264 -0.643 . . . . 0.29999999999999999 109.264 174.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.43 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.2 t -110.49 128.03 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 N-CA-C 109.323 -0.621 . . . . 0.25 109.323 177.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.21 161.78 21.34 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.93 -0.577 . . . . 0.23999999999999999 112.055 -175.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.5 25.34 75.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.821 -0.704 . . . . 0.23999999999999999 112.565 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.5 mt -79.57 138.71 54.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.826 0.346 . . . . 0.20000000000000001 110.914 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 24.0 Cg_endo -64.46 139.54 65.19 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 121.872 1.715 . . . . 0.28000000000000003 110.037 173.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -63.01 -16.53 60.14 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.123 0.416 . . . . 0.54000000000000004 112.123 -172.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -76.54 -22.05 54.88 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 111.879 0.326 . . . . 2.3700000000000001 111.879 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.499 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 55.1 m -57.58 141.77 46.89 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.212 0.449 . . . . 0.34999999999999998 112.212 -175.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.8 p -112.88 162.03 16.29 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 120.945 0.403 . . . . 0.26000000000000001 111.116 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.03 -36.02 62.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.69 -0.686 . . . . 0.55000000000000004 110.109 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -61.81 -42.42 98.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.529 -0.759 . . . . 2.2400000000000002 110.481 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.521 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 9.6 m -64.86 -37.85 89.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.992 -0.549 . . . . 0.39000000000000001 111.415 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 mt -70.36 -43.87 69.29 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.346 -0.613 . . . . 0.26000000000000001 109.346 177.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -56.04 -56.39 21.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.819 -1.082 . . . . 0.69999999999999996 110.394 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.521 ' OE2' ' HA ' ' A' ' 50' ' ' THR . 7.7 pt-20 -61.36 -40.12 93.15 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.09 0.774 . . . . 2.6800000000000002 113.09 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -69.98 -52.21 26.14 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.706 -0.398 . . . . 0.84999999999999998 111.55 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -72.32 -28.72 63.25 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.552 0.945 . . . . 0.23999999999999999 113.552 -176.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.476 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 12.7 pt-20 -65.93 -18.49 65.38 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.825 -0.35 . . . . 1.9299999999999999 111.374 -175.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -68.54 -7.0 28.53 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.187 0.44 . . . . 2.0600000000000001 112.187 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -91.73 -16.11 27.39 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.96 0.409 . . . . 0.29999999999999999 110.861 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.5 -109.01 0.3 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.893 -0.67 . . . . 1.3600000000000001 111.779 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -133.61 148.02 51.53 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.902 -0.407 . . . . 0.65000000000000002 109.902 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.444 HG12 ' SD ' ' A' ' 83' ' ' MET . 33.0 mt -112.77 141.42 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.129 0.49 . . . . 0.22 111.656 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -79.99 -49.61 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.148 -0.933 . . . . 1.5900000000000001 109.928 173.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -158.25 137.29 11.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.722 -1.127 . . . . 2.2999999999999998 109.72 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.73 115.78 12.4 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.121 -0.232 . . . . 0.17000000000000001 110.398 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.1 m -138.42 150.97 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.952 0.406 . . . . 0.32000000000000001 112.044 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.76 133.91 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 107.622 -1.251 . . . . 0.23000000000000001 107.622 170.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.787 HG12 ' HA2' ' A' ' 79' ' ' GLY . 26.0 mm -82.93 125.43 40.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-O 121.722 0.772 . . . . 0.17000000000000001 111.212 -169.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.422 ' HB ' ' C ' ' A' ' 73' ' ' GLN . 53.9 p -120.0 149.19 42.55 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.582 -1.19 . . . . 0.34000000000000002 108.816 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.27 126.11 23.53 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 110.028 -0.36 . . . . 0.64000000000000001 110.028 173.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -57.94 -23.34 53.18 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.206 0.447 . . . . 5.2400000000000002 112.206 -174.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -84.08 -55.21 4.33 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.516 -0.311 . . . . 1.6499999999999999 111.231 -176.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.5 p -99.69 -14.4 18.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.578 0.584 . . . . 0.70999999999999996 112.578 -174.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.422 ' C ' ' HB ' ' A' ' 68' ' ' THR . 36.9 mt-30 64.49 30.78 12.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.402 0.62 . . . . 1.4199999999999999 110.702 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -91.34 134.99 34.13 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.442 -0.799 . . . . 2.2000000000000002 109.606 175.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.419 ' HA ' HG22 ' A' ' 68' ' ' THR . 4.4 p -59.85 134.87 57.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.331 0.586 . . . . 1.1499999999999999 111.713 -176.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.9 mtp85 -96.4 13.44 27.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.878 -0.601 . . . . 2.1600000000000001 110.656 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.87 16.66 79.29 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.526 -0.761 . . . . 0.26000000000000001 114.463 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 44.3 p90 -151.76 166.82 30.18 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 117.373 0.586 . . . . 0.46000000000000002 109.622 176.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.787 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -155.35 -178.62 29.77 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.416 -0.897 . . . . 0.14000000000000001 113.037 -176.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.59 ' HE2' ' HZ3' ' A' ' 36' ' ' LYS . 51.8 m-85 -134.19 140.3 46.41 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.649 0.738 . . . . 0.31 112.412 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.7 t -127.2 131.85 70.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 114.27 -1.332 . . . . 0.28999999999999998 109.661 171.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 m -107.77 110.56 22.41 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.584 -1.265 . . . . 0.26000000000000001 107.584 171.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.477 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 95.3 mmm -84.28 149.46 26.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.92 0.391 . . . . 0.42999999999999999 110.103 -177.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -76.08 -18.35 59.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.647 -0.706 . . . . 1.46 110.57 -175.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.59 149.02 40.2 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.078 0.466 . . . . 1.02 111.084 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.598 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 14.8 ttm180 -60.9 -43.59 98.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.63 -0.714 . . . . 2.9500000000000002 112.507 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.637 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -65.02 -40.97 95.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.477 -0.329 . . . . 0.27000000000000002 110.875 -174.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.7 m -62.49 -43.97 97.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.29 0.567 . . . . 0.55000000000000004 109.983 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.496 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -63.01 -43.66 98.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.17 -0.923 . . . . 0.17000000000000001 111.154 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -70.24 -35.34 73.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.035 -0.529 . . . . 2.0800000000000001 111.604 -176.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 27.7 mmm180 -59.15 -42.92 91.83 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.592 -0.522 . . . . 3.23 109.592 175.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.91 -36.57 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.549 -0.751 . . . . 0.20000000000000001 111.081 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 63.0 m -81.28 -10.11 59.64 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.333 0.494 . . . . 0.32000000000000001 112.333 -176.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -75.25 -28.69 59.94 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.63 -0.428 . . . . 2.8999999999999999 110.183 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -108.32 85.45 2.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.687 -0.857 . . . . 1.1200000000000001 108.687 171.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.5 -9.21 25.61 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 123.25 2.633 . . . . 0.47999999999999998 114.051 -169.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.645 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 14.8 m120 -132.24 65.4 74.96 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 112.593 0.59 . . . . 0.67000000000000004 112.593 -173.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 3.4 Cg_exo -74.83 147.56 34.89 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.869 2.38 . . . . 0.47999999999999998 111.7 176.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.9 mm -82.09 111.04 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.929 0.395 . . . . 0.42999999999999999 110.018 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.2 mt -125.13 120.29 57.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 0.44 110.101 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.2 t0 60.68 34.92 19.92 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 122.087 0.946 . . . . 1.3300000000000001 110.1 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 82.35 3.44 90.54 Favored Glycine 0 C--N 1.331 0.26 0 CA-C-N 115.077 -0.965 . . . . 0.51000000000000001 113.495 176.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.422 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 14.7 tpt180 -125.74 137.08 53.8 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.903 0.351 . . . . 1.97 110.676 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.412 ' CG ' ' HB3' ' A' ' 97' ' ' ASN . 22.9 ttmm -74.08 124.66 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.476 -0.564 . . . . 1.8700000000000001 109.476 173.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.645 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.88 159.42 16.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.159 -0.473 . . . . 0.20999999999999999 111.076 -173.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -101.95 113.87 27.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.529 -0.915 . . . . 1.53 108.529 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 57.7 t -120.34 128.13 75.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.064 0.459 . . . . 0.38 111.99 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -155.18 154.34 32.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.556 -0.747 . . . . 0.60999999999999999 109.999 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.3 mt -56.95 130.54 46.42 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.741 -0.466 . . . . 0.23000000000000001 109.741 172.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.69 -29.24 69.2 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.332 0.864 . . . . 0.22 113.332 -167.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -67.21 -18.35 65.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.985 0.421 . . . . 0.44 111.212 -177.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.94 -19.36 65.71 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 113.086 0.772 . . . . 0.44 113.086 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -147.34 14.81 1.46 Allowed Glycine 0 CA--C 1.52 0.372 0 C-N-CA 119.973 -1.108 . . . . 0.38 112.933 -173.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 120.878 0.37 . . . . 0.57999999999999996 111.298 -174.907 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.595 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 11.0 p . . . . . 0 CA--C 1.528 0.118 0 N-CA-C 111.85 0.315 . . . . 0.76000000000000001 111.85 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.3 ttt -52.11 -51.49 57.46 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.226 0.454 . . . . 0.91000000000000003 112.226 -176.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.454 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 94.7 m-85 -102.86 3.34 36.49 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.791 0.293 . . . . 0.85999999999999999 111.791 -175.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.595 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 17.0 p -112.94 -13.79 13.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.023 0.379 . . . . 0.25 112.023 -175.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -89.06 113.01 24.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.968 0.413 . . . . 1.28 110.382 -178.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.515 HD11 ' HA ' ' A' ' 89' ' ' ALA . 60.8 mt -100.05 134.63 38.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.882 -0.599 . . . . 0.20999999999999999 110.919 -178.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.446 ' HD2' ' CE2' ' A' ' 80' ' ' PHE . 60.8 t80 -101.32 124.6 47.27 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.661 -0.496 . . . . 0.29999999999999999 109.661 172.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.53 HG13 HG22 ' A' ' 107' ' ' VAL . 7.5 t -109.0 126.84 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 109.348 -0.612 . . . . 0.25 109.348 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.29 158.98 21.28 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 116.113 -0.494 . . . . 0.23999999999999999 112.414 -172.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.66 20.61 79.82 Favored Glycine 0 C--O 1.229 -0.176 0 C-N-CA 121.051 -0.595 . . . . 0.23999999999999999 112.611 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.4 mt -74.9 133.19 76.24 Favored Pre-proline 0 C--N 1.323 -0.546 0 C-N-CA 122.293 0.237 . . . . 0.20000000000000001 111.381 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 10.0 Cg_endo -56.82 139.01 88.0 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.946 1.764 . . . . 0.28000000000000003 110.691 172.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -60.41 -28.24 68.1 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.798 0.666 . . . . 0.54000000000000004 112.798 -169.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -83.85 -3.24 57.74 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.482 0.919 . . . . 2.3700000000000001 113.482 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.457 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 35.7 m -59.46 140.92 55.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.275 0.489 . . . . 0.34999999999999998 111.383 173.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.5 p -111.7 163.94 13.58 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.119 0.485 . . . . 0.26000000000000001 110.943 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.47 -35.9 61.06 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.515 -0.766 . . . . 0.55000000000000004 110.627 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -61.75 -42.4 98.92 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.851 -0.613 . . . . 2.2400000000000002 110.938 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.6 m -65.68 -37.65 87.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.699 0.285 . . . . 0.39000000000000001 110.961 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.75 -46.71 68.11 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.224 -0.591 . . . . 0.26000000000000001 109.659 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -55.8 -55.96 26.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.376 -0.829 . . . . 0.69999999999999996 111.221 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.699 ' HG3' ' N ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -62.22 -40.37 95.88 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.499 0.555 . . . . 2.6800000000000002 112.499 -174.396 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.699 ' N ' ' HG3' ' A' ' 53' ' ' GLU . 25.0 t80 -70.44 -52.61 20.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.965 0.412 . . . . 0.84999999999999998 110.915 -175.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.48 ' HB2' HD11 ' A' ' 61' ' ' ILE . 64.8 m-85 -71.8 -27.03 62.66 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.818 0.673 . . . . 0.23999999999999999 112.818 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.43 -15.32 63.26 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.378 -0.529 . . . . 1.9299999999999999 110.954 -176.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -67.29 -10.56 51.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.689 0.28 . . . . 2.0600000000000001 111.061 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.432 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 40.5 m-85 -91.73 -19.36 22.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.458 -0.337 . . . . 0.29999999999999999 110.87 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.87 -111.79 0.48 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.326 -0.94 . . . . 1.3600000000000001 112.947 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -125.35 124.3 41.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.802 0.335 . . . . 0.65000000000000002 111.321 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.48 HD11 ' HB2' ' A' ' 55' ' ' PHE . 34.8 mt -95.91 133.15 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.604 0.716 . . . . 0.22 111.231 173.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -82.37 -43.21 17.68 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.704 -1.135 . . . . 1.5900000000000001 109.243 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -160.1 136.15 8.62 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.61 -0.723 . . . . 2.2999999999999998 109.881 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.44 116.78 12.73 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.11 -0.368 . . . . 0.17000000000000001 110.887 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.1 m -138.22 149.15 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 112.628 0.603 . . . . 0.32000000000000001 112.628 -178.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.8 t -91.03 134.62 29.11 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.136 0 N-CA-C 108.5 -0.926 . . . . 0.23000000000000001 108.5 169.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.772 HG12 ' HA2' ' A' ' 79' ' ' GLY . 41.2 mm -90.2 124.13 42.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.661 0.743 . . . . 0.17000000000000001 111.338 -169.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.699 HG22 ' HA ' ' A' ' 75' ' ' SER . 48.4 p -124.99 154.41 41.28 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 114.862 -1.063 . . . . 0.34000000000000002 108.665 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -57.42 134.03 55.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.064 0.459 . . . . 0.64000000000000001 111.579 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -58.34 -26.62 63.32 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.813 -0.631 . . . . 5.2400000000000002 112.549 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -96.28 -53.39 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.016 0.376 . . . . 1.6499999999999999 112.016 -175.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.5 p -92.12 -21.18 20.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.158 0.504 . . . . 0.70999999999999996 111.769 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.459 ' C ' ' HB ' ' A' ' 68' ' ' THR . 84.7 mt-30 68.24 21.77 8.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.974 -1.012 . . . . 1.4199999999999999 110.467 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -75.04 129.83 38.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.689 -0.856 . . . . 2.2000000000000002 108.689 175.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.699 ' HA ' HG22 ' A' ' 68' ' ' THR . 8.7 m -56.9 126.18 25.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.117 0.484 . . . . 1.1499999999999999 110.364 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -86.59 10.68 14.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.332 0.587 . . . . 2.1600000000000001 110.657 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.16 18.3 79.44 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.438 -0.801 . . . . 0.26000000000000001 114.191 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.516 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 49.0 p90 -155.22 167.29 30.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 117.331 0.566 . . . . 0.46000000000000002 110.294 177.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.772 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -150.11 -178.12 24.73 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.882 -0.675 . . . . 0.14000000000000001 111.913 -177.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.446 ' CE2' ' HD2' ' A' ' 38' ' ' PHE . 51.2 m-85 -133.11 138.3 46.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.9 0.857 . . . . 0.31 112.084 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.443 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 24.6 t -125.42 121.48 60.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 114.23 -1.35 . . . . 0.28999999999999998 109.142 174.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.4 m -107.04 110.87 23.1 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.451 -0.944 . . . . 0.26000000000000001 108.451 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.637 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.8 mmm -84.55 141.0 31.02 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.233 0.539 . . . . 0.42999999999999999 110.317 -177.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -68.02 -17.29 64.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.017 -0.992 . . . . 1.46 110.509 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.05 147.66 38.97 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.997 -0.547 . . . . 1.02 109.975 -178.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.454 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 48.4 ttt180 -67.16 -41.58 85.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.625 -0.261 . . . . 2.9500000000000002 111.703 -176.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.664 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -64.01 -40.7 96.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.753 0.311 . . . . 0.27000000000000002 110.312 -173.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.6 m -61.88 -43.79 98.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.704 -0.68 . . . . 0.55000000000000004 109.707 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.637 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.35 -44.0 97.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.443 -0.799 . . . . 0.17000000000000001 111.218 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -71.43 -33.63 69.58 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.785 -0.643 . . . . 2.0800000000000001 111.585 -175.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.664 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 30.8 mmt180 -57.95 -43.85 86.65 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.441 -0.577 . . . . 3.23 109.441 173.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -61.38 -37.39 83.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.482 -0.781 . . . . 0.20000000000000001 111.257 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 66.9 m -80.94 -10.24 59.74 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.143 0.423 . . . . 0.32000000000000001 112.143 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -65.51 -34.64 78.75 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 122.22 -0.3 . . . . 2.8999999999999999 110.61 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -110.07 92.78 13.69 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 108.72 -0.844 . . . . 1.1200000000000001 108.72 171.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.439 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.1 Cg_endo -69.85 -2.65 10.61 Favored 'Trans proline' 0 CA--C 1.521 -0.139 0 C-N-CA 122.742 2.295 . . . . 0.47999999999999998 113.419 -174.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.679 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 82.3 m-20 -130.88 60.0 50.06 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 112.395 0.516 . . . . 0.67000000000000004 112.395 -177.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 2.9 Cg_exo -73.78 147.53 39.81 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.456 2.104 . . . . 0.47999999999999998 111.796 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.1 mm -82.17 110.13 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.486 -0.561 . . . . 0.42999999999999999 109.486 174.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.2 mt -123.32 123.78 68.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.854 -0.612 . . . . 0.44 110.029 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.4 t0 59.23 36.75 23.84 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.886 0.85 . . . . 1.3300000000000001 109.996 176.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.16 11.53 84.82 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.138 -0.937 . . . . 0.51000000000000001 113.928 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -134.97 141.44 46.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.029 0.415 . . . . 1.97 111.613 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.549 ' HE3' ' HB3' ' A' ' 97' ' ' ASN . 2.7 ttmp? -70.42 124.41 24.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 1.8700000000000001 110.072 174.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.679 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -108.23 159.9 16.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.87 -0.605 . . . . 0.20999999999999999 110.645 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 4.7 m-20 -111.12 115.18 28.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.375 -0.602 . . . . 1.53 109.375 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.53 HG22 HG13 ' A' ' 39' ' ' VAL . 98.0 t -120.54 136.47 57.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 112.265 0.469 . . . . 0.38 112.265 -175.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -153.34 155.55 36.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.583 -0.735 . . . . 0.60999999999999999 109.574 173.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.4 mt -55.77 127.54 30.6 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.897 0.38 . . . . 0.23000000000000001 109.989 173.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.16 71.08 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.551 0.945 . . . . 0.22 113.551 -167.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -69.2 -16.93 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.991 0.424 . . . . 0.44 111.134 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 mt -79.88 -6.59 57.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.44 111.633 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -136.86 13.93 3.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.211 -0.995 . . . . 0.38 112.422 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.415 0 O-C-N 122.809 -0.23 . . . . 0.57999999999999996 110.434 179.134 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.629 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 112.767 0.654 . . . . 0.76000000000000001 112.767 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 50.0 mtp -53.37 -52.27 59.81 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.211 0.819 . . . . 0.91000000000000003 113.211 -177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.459 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 77.0 m-85 -106.74 -1.36 22.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.536 0.607 . . . . 0.85999999999999999 111.301 -177.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.629 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 32.5 p -102.98 -25.5 13.43 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.138 0.421 . . . . 0.25 112.138 -175.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.494 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 62.0 tttm -85.94 113.43 22.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.968 0.413 . . . . 1.28 110.421 -176.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' A' ' 89' ' ' ALA . 63.0 mt -101.5 134.94 40.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.844 -0.616 . . . . 0.20999999999999999 111.332 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.402 ' HD2' ' CZ ' ' A' ' 80' ' ' PHE . 74.9 t80 -101.04 127.78 47.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.987 -0.552 . . . . 0.29999999999999999 109.563 174.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.471 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.6 t -114.67 130.51 68.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 110.169 -0.308 . . . . 0.25 110.169 178.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.31 163.05 21.24 Favored Glycine 0 C--O 1.227 -0.327 0 CA-C-N 116.005 -0.543 . . . . 0.23999999999999999 111.945 -174.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.65 10.37 84.78 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.805 -0.712 . . . . 0.23999999999999999 112.597 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.8 mt -69.75 132.62 88.83 Favored Pre-proline 0 C--N 1.327 -0.401 0 C-N-CA 122.749 0.42 . . . . 0.20000000000000001 111.563 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.635 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 10.7 Cg_endo -57.07 139.88 91.16 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.215 1.943 . . . . 0.28000000000000003 110.213 173.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -62.31 -30.66 71.31 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.288 0.477 . . . . 0.54000000000000004 112.288 -170.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -77.72 -6.38 53.77 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.433 0.531 . . . . 2.3700000000000001 112.433 -177.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.426 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 24.6 m -55.8 141.68 37.7 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.704 0.288 . . . . 0.34999999999999998 111.057 177.034 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.0 p -111.09 161.34 16.02 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.189 0.519 . . . . 0.26000000000000001 110.717 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 64' ' ' ALA . 3.1 m-20 -53.51 -33.82 55.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.378 -0.828 . . . . 0.55000000000000004 110.204 178.183 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.582 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 27.4 ttpp -61.98 -43.7 98.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.438 -0.801 . . . . 2.2400000000000002 110.894 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -63.35 -39.04 93.44 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.96 0.409 . . . . 0.39000000000000001 110.923 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.2 mt -70.45 -43.91 68.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.245 -0.434 . . . . 0.26000000000000001 110.276 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.421 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 47.7 t-80 -54.3 -55.96 23.16 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.315 -0.857 . . . . 0.69999999999999996 110.851 176.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 35.3 mm-40 -60.54 -44.29 96.25 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.418 0.525 . . . . 2.6800000000000002 112.418 -174.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -65.15 -52.64 53.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.934 0.397 . . . . 0.84999999999999998 111.394 -172.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.598 ' HB2' HD11 ' A' ' 61' ' ' ILE . 84.9 m-85 -72.52 -24.21 61.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.972 -0.558 . . . . 0.23999999999999999 112.125 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HG2' HD12 ' A' ' 61' ' ' ILE . 4.2 mm-40 -60.02 -26.58 66.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.203 0.525 . . . . 1.9299999999999999 111.284 -177.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -72.47 -9.94 59.17 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.189 -0.46 . . . . 2.0600000000000001 111.617 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.403 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 44.8 m-85 -92.0 -23.48 19.52 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.157 0.503 . . . . 0.29999999999999999 109.998 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 158.14 -170.91 35.0 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.693 -0.685 . . . . 1.3600000000000001 111.77 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.498 ' HB3' ' HE3' ' A' ' 84' ' ' LYS . 7.0 m-20 -68.36 128.06 35.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.043 0.449 . . . . 0.65000000000000002 111.761 -176.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.598 HD11 ' HB2' ' A' ' 55' ' ' PHE . 47.9 mt -98.41 134.96 35.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 115.773 -0.649 . . . . 0.22 110.326 170.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -83.83 -43.93 14.87 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.411 -0.588 . . . . 1.5900000000000001 109.411 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -151.12 137.4 18.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.584 -0.735 . . . . 2.2999999999999998 109.872 178.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.482 ' HB2' HG21 ' A' ' 61' ' ' ILE . . . -135.66 115.06 12.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.646 -0.501 . . . . 0.17000000000000001 109.646 177.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.406 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 17.6 m -138.17 148.16 25.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.027 0.442 . . . . 0.32000000000000001 112.131 -175.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.5 t -90.45 133.95 30.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 108.24 -1.022 . . . . 0.23000000000000001 108.24 169.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.903 HG12 ' HA2' ' A' ' 79' ' ' GLY . 39.4 mm -86.01 124.05 39.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.578 0.704 . . . . 0.17000000000000001 111.042 -169.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.536 HG22 ' HA ' ' A' ' 75' ' ' SER . 20.2 p -122.06 144.94 48.61 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.948 -1.024 . . . . 0.34000000000000002 109.005 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.49 135.71 56.63 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.902 0.382 . . . . 0.64000000000000001 111.336 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -60.29 -29.37 68.78 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 112.993 0.738 . . . . 5.2400000000000002 112.993 -175.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -94.23 -22.6 18.31 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.808 -0.558 . . . . 1.6499999999999999 112.393 -172.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.5 p -124.17 -23.64 4.5 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.545 0.688 . . . . 0.70999999999999996 111.133 -170.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 68.43 25.13 6.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 113.818 -1.537 . . . . 1.4199999999999999 110.01 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 68' ' ' THR . 46.9 mmtm -86.04 150.41 24.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.616 -0.72 . . . . 2.2000000000000002 109.672 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.536 ' HA ' HG22 ' A' ' 68' ' ' THR . 19.8 m -78.6 121.8 25.11 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.849 -0.426 . . . . 1.1499999999999999 109.849 -170.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.671 ' HD3' HG22 ' A' ' 67' ' ' ILE . 45.1 mtp85 -86.68 12.06 11.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.871 0.322 . . . . 2.1600000000000001 111.871 -172.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.71 13.37 83.09 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.95 -0.643 . . . . 0.26000000000000001 114.592 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 42.5 p90 -154.88 168.26 27.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 117.171 0.486 . . . . 0.46000000000000002 110.135 177.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.903 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -152.12 -178.76 27.14 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.722 -0.751 . . . . 0.14000000000000001 112.197 -176.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.409 ' HD1' HD11 ' A' ' 67' ' ' ILE . 54.3 m-85 -133.72 139.83 46.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.905 0.86 . . . . 0.31 112.067 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.491 HG21 ' CD1' ' A' ' 55' ' ' PHE . 23.5 t -123.61 122.1 64.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 113.868 -1.515 . . . . 0.28999999999999998 109.068 172.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.2 m -105.36 110.64 23.07 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 107.951 -1.129 . . . . 0.26000000000000001 107.951 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.646 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 91.2 mmm -83.93 143.02 30.12 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.262 0.553 . . . . 0.42999999999999999 110.517 -175.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.498 ' HE3' ' HB3' ' A' ' 60' ' ' ASP . 26.8 ttmt -69.98 -18.42 63.34 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.839 -1.073 . . . . 1.46 110.159 -178.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -141.55 148.38 39.24 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.148 0.499 . . . . 1.02 111.552 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.459 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 74.3 ttt180 -60.98 -43.12 99.27 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.334 -0.848 . . . . 2.9500000000000002 112.914 -178.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -66.69 -41.78 87.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.875 0.369 . . . . 0.27000000000000002 110.926 -173.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.9 m -62.86 -41.33 99.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.058 -0.519 . . . . 0.55000000000000004 110.1 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.646 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.83 -41.59 99.39 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.405 -0.816 . . . . 0.17000000000000001 111.057 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.08 -39.79 78.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.052 -0.522 . . . . 2.0800000000000001 110.935 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 31.0 mmm180 -58.53 -41.84 86.43 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.064 0.459 . . . . 3.23 109.952 178.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.403 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -60.09 -40.97 91.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.358 -0.837 . . . . 0.20000000000000001 111.551 176.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 62.3 m -82.19 -10.17 59.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.751 0.649 . . . . 0.32000000000000001 112.751 -175.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -64.94 -39.22 93.17 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 122.236 -0.29 . . . . 2.8999999999999999 110.618 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -107.84 98.14 23.92 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 108.416 -0.957 . . . . 1.1200000000000001 108.416 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.41 -5.48 16.1 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 123.306 2.671 . . . . 0.47999999999999998 114.614 -169.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.579 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 85.8 m-20 -134.95 66.37 68.04 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 112.409 0.522 . . . . 0.67000000000000004 112.409 -175.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.0 145.08 35.13 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.956 1.771 . . . . 0.47999999999999998 111.414 174.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.8 mm -85.39 111.74 21.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.895 -0.409 . . . . 0.42999999999999999 109.895 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.3 mt -120.0 121.02 64.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.784 -0.643 . . . . 0.44 109.865 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.5 t70 59.66 34.76 22.25 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.884 0.85 . . . . 1.3300000000000001 109.979 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.38 5.93 78.86 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.474 -0.785 . . . . 0.51000000000000001 112.711 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.635 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 30.7 tpt180 -114.93 139.99 49.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.834 0.349 . . . . 1.97 111.031 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -74.83 120.13 19.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.616 -0.513 . . . . 1.8700000000000001 109.616 173.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.579 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.57 157.84 17.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.649 0.262 . . . . 0.20999999999999999 110.64 177.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -105.35 114.2 28.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.959 -0.756 . . . . 1.53 108.959 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.421 HG22 HG13 ' A' ' 39' ' ' VAL . 47.8 t -118.03 128.15 75.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.935 0.398 . . . . 0.38 111.86 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -157.18 156.43 32.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.56 -0.745 . . . . 0.60999999999999999 109.898 175.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.1 mt -55.95 127.41 30.24 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.778 -0.453 . . . . 0.23000000000000001 109.778 173.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.92 -28.2 69.37 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.264 0.839 . . . . 0.22 113.264 -167.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -14.93 63.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.783 0.325 . . . . 0.44 111.304 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.41 -7.94 52.37 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.474 0.546 . . . . 0.44 112.474 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.14 14.68 1.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.23 -0.986 . . . . 0.38 112.562 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 120.946 0.403 . . . . 0.57999999999999996 111.404 -178.337 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.686 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 25.8 p . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 112.259 0.466 . . . . 0.76000000000000001 112.259 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 17.6 mtp -54.53 -51.85 63.86 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.889 0.7 . . . . 0.91000000000000003 112.889 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.95 -3.57 21.59 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 118.12 0.418 . . . . 0.85999999999999999 111.363 -174.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.464 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 13.9 p -106.01 -19.62 13.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.578 -0.283 . . . . 0.25 111.642 -174.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.686 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 60.0 tttm -90.88 113.17 25.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.372 0.606 . . . . 1.28 109.974 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.55 HD11 ' HA ' ' A' ' 89' ' ' ALA . 61.3 mt -98.08 131.52 44.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.39 -0.823 . . . . 0.20999999999999999 110.1 -178.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.422 ' HD2' ' CE2' ' A' ' 80' ' ' PHE . 59.5 t80 -101.97 122.27 43.74 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.259 -0.645 . . . . 0.29999999999999999 109.259 173.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.629 HG13 HG22 ' A' ' 107' ' ' VAL . 4.3 t -106.33 130.33 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 109.14 -0.689 . . . . 0.25 109.14 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.45 148.02 17.0 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 121.004 -0.617 . . . . 0.23999999999999999 111.991 -173.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.1 16.28 76.98 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.844 -0.693 . . . . 0.23999999999999999 112.216 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.416 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 70.3 mt -66.49 129.8 94.14 Favored Pre-proline 0 CA--C 1.513 -0.472 0 CA-C-O 120.787 0.327 . . . . 0.20000000000000001 110.929 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 42' ' ' LEU . 18.5 Cg_endo -59.07 138.91 88.18 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 122.063 1.842 . . . . 0.28000000000000003 109.784 174.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -58.88 -20.88 55.29 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.694 0.627 . . . . 0.54000000000000004 112.694 -171.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -77.86 -15.26 59.18 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.801 0.667 . . . . 2.3700000000000001 112.801 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.572 ' HA ' ' OD2' ' A' ' 101' ' ' ASP . 98.6 m -55.09 138.85 43.32 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.156 0.428 . . . . 0.34999999999999998 112.156 177.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.1 p -117.18 165.78 13.02 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.113 0.482 . . . . 0.26000000000000001 110.938 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.507 ' OD1' ' HA ' ' A' ' 65' ' ' VAL . 5.9 m-20 -53.28 -35.26 59.89 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.739 -0.664 . . . . 0.55000000000000004 110.716 176.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.653 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 38.1 ttpt -66.67 -36.68 83.11 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.804 -0.635 . . . . 2.2400000000000002 110.546 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.448 HG21 ' OD2' ' A' ' 101' ' ' ASP . 23.0 m -62.05 -40.7 96.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.084 0.468 . . . . 0.39000000000000001 110.248 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.3 mt -70.26 -40.38 74.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.948 -0.569 . . . . 0.26000000000000001 109.864 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.549 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 51.2 t-80 -56.63 -57.32 12.91 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.355 -0.839 . . . . 0.69999999999999996 111.117 176.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 15.9 mm-40 -60.26 -46.27 90.41 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.337 0.495 . . . . 2.6800000000000002 112.337 -176.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -70.59 -54.72 10.93 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.308 -0.557 . . . . 0.84999999999999998 111.677 -172.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.528 ' HB2' HD11 ' A' ' 61' ' ' ILE . 65.4 m-85 -71.33 -28.27 63.97 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.59 0.959 . . . . 0.23999999999999999 113.59 -174.137 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 52' ' ' HIS . 10.1 pt-20 -72.57 -12.56 61.11 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 119.471 -0.891 . . . . 1.9299999999999999 111.189 -175.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -67.7 -8.06 32.13 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.774 0.321 . . . . 2.0600000000000001 110.933 176.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 45.3 m-85 -93.43 -16.68 24.31 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.952 0.406 . . . . 0.29999999999999999 111.028 177.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.96 -109.99 0.38 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.875 -0.679 . . . . 1.3600000000000001 112.35 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -126.24 132.71 51.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.616 0.246 . . . . 0.65000000000000002 111.249 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.528 HD11 ' HB2' ' A' ' 55' ' ' PHE . 37.4 mt -103.39 135.05 42.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.806 0.336 . . . . 0.22 110.656 171.176 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -86.05 -38.36 17.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.756 -0.656 . . . . 1.5900000000000001 110.584 172.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -155.46 134.59 12.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.803 -0.635 . . . . 2.2999999999999998 109.783 -174.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.41 116.43 13.31 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.247 -0.279 . . . . 0.17000000000000001 110.247 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.507 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 25.4 m -136.31 141.93 39.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.863 0.363 . . . . 0.32000000000000001 111.525 -175.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.5 t -96.28 134.26 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.875 -1.157 . . . . 0.23000000000000001 107.875 169.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.95 HG12 ' HA2' ' A' ' 79' ' ' GLY . 31.0 mm -86.39 124.37 40.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.724 0.773 . . . . 0.17000000000000001 111.156 -169.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.585 HG22 ' HA ' ' A' ' 75' ' ' SER . 41.4 p -120.92 146.21 46.87 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.622 -1.172 . . . . 0.34000000000000002 108.633 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -56.66 130.89 47.26 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.711 -0.396 . . . . 0.64000000000000001 111.112 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -16.24 61.59 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.286 1.217 . . . . 5.2400000000000002 114.286 -174.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -92.12 -52.07 4.88 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.579 0.627 . . . . 1.6499999999999999 111.625 178.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.0 p -90.22 -21.12 22.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.35 -0.387 . . . . 0.70999999999999996 112.027 -174.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 66.55 30.76 8.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.297 -0.865 . . . . 1.4199999999999999 110.144 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -104.42 141.19 36.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.721 -0.672 . . . . 2.2000000000000002 109.54 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.585 ' HA ' HG22 ' A' ' 68' ' ' THR . 3.4 p -60.44 133.97 56.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.205 0.526 . . . . 1.1499999999999999 112.018 -174.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -94.66 13.28 24.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.588 -0.733 . . . . 2.1600000000000001 111.571 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.02 14.01 80.59 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 115.753 -0.658 . . . . 0.26000000000000001 114.368 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -151.31 168.26 25.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 117.52 0.66 . . . . 0.46000000000000002 110.34 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.95 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -160.05 -176.89 32.63 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.712 -0.756 . . . . 0.14000000000000001 113.01 -176.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.448 ' HD1' HD11 ' A' ' 67' ' ' ILE . 50.0 m-85 -135.9 139.37 43.27 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.753 0.787 . . . . 0.31 112.208 -176.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 64.6 t -124.28 133.37 69.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.387 -1.279 . . . . 0.28999999999999998 109.823 171.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -107.63 107.78 18.75 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 107.865 -1.161 . . . . 0.26000000000000001 107.865 171.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.586 ' SD ' ' HA ' ' A' ' 89' ' ' ALA . 18.7 mtp -88.17 149.53 23.83 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.294 -0.562 . . . . 0.42999999999999999 109.85 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -71.75 -17.54 62.19 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.299 -0.864 . . . . 1.46 111.24 -173.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -143.46 149.74 38.01 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.1 0.476 . . . . 1.02 110.605 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -60.51 -41.58 94.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.484 -0.78 . . . . 2.9500000000000002 111.788 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.673 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -63.46 -41.54 98.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.758 0.313 . . . . 0.27000000000000002 110.967 -175.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 m -63.88 -44.32 93.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.97 0.414 . . . . 0.55000000000000004 109.915 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.586 ' HA ' ' SD ' ' A' ' 83' ' ' MET . . . -63.58 -42.66 98.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.521 -0.763 . . . . 0.17000000000000001 111.015 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -69.45 -39.12 77.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.817 -0.629 . . . . 2.0800000000000001 111.602 -175.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.673 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 21.6 mmm180 -64.48 -37.66 88.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.47 -0.492 . . . . 3.23 109.679 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -62.87 -39.45 94.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.79 -0.641 . . . . 0.20000000000000001 110.886 175.352 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 67.9 m -83.09 -9.63 59.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.32000000000000001 112.009 -177.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 94' ' ' LYS . 21.4 tptp -64.67 -31.37 72.56 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 121.109 -0.236 . . . . 2.8999999999999999 111.442 -172.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -113.32 103.36 55.52 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 107.683 -1.228 . . . . 1.1200000000000001 107.683 170.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.477 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 54.1 Cg_endo -68.9 7.25 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.865 2.377 . . . . 0.47999999999999998 114.02 -171.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.754 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 82.5 m-20 -132.79 60.24 48.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 112.763 0.653 . . . . 0.67000000000000004 112.763 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.13 149.28 35.96 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.375 2.05 . . . . 0.47999999999999998 112.342 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.2 mm -81.68 111.62 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.442 -0.344 . . . . 0.42999999999999999 110.42 174.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.4 mt -125.51 121.46 60.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.377 -0.374 . . . . 0.44 110.218 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.572 ' OD2' ' HA ' ' A' ' 46' ' ' THR . 0.2 OUTLIER 58.54 40.84 23.36 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.804 -0.635 . . . . 1.3300000000000001 111.202 179.285 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.88 13.58 80.65 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 115.669 -0.696 . . . . 0.51000000000000001 113.81 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -133.45 133.94 42.92 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.513 -0.404 . . . . 1.97 110.563 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -73.1 123.48 23.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.309 -0.626 . . . . 1.8700000000000001 109.309 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.754 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -108.6 161.28 15.22 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.828 -0.624 . . . . 0.20999999999999999 111.148 -173.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 5.5 m-20 -106.05 113.48 27.04 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.752 -0.833 . . . . 1.53 108.752 176.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.629 HG22 HG13 ' A' ' 39' ' ' VAL . 43.8 t -125.41 142.37 42.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.183 0.516 . . . . 0.38 112.375 -173.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -157.55 158.15 35.11 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.376 -0.829 . . . . 0.60999999999999999 109.785 173.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.15 127.31 28.59 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 109.485 -0.561 . . . . 0.23000000000000001 109.485 173.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.77 -31.01 66.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.873 1.064 . . . . 0.22 113.873 -167.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -68.27 -18.82 64.63 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.858 -0.337 . . . . 0.44 111.643 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.1 mt -73.98 -8.16 55.09 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.702 0.63 . . . . 0.44 112.702 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -150.95 13.38 0.85 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.452 -0.88 . . . . 0.38 111.95 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.007 0.432 . . . . 0.57999999999999996 111.304 -178.436 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.902 HG22 ' HB2' ' A' ' 36' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 112.807 0.669 . . . . 0.76000000000000001 112.807 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.6 mtp -54.25 -50.35 67.4 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 113.599 0.963 . . . . 0.91000000000000003 113.599 -173.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -104.27 -0.82 27.86 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.878 -0.513 . . . . 0.85999999999999999 110.635 -172.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.0 p -107.67 -17.51 14.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.153 -0.476 . . . . 0.25 111.345 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.902 ' HB2' HG22 ' A' ' 32' ' ' THR . 86.8 tttt -91.4 113.77 26.12 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.281 0.562 . . . . 1.28 110.761 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.553 HD11 ' HA ' ' A' ' 89' ' ' ALA . 70.5 mt -101.24 134.48 41.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.4 -0.818 . . . . 0.20999999999999999 110.138 178.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -98.02 125.08 42.81 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.104 -0.702 . . . . 0.29999999999999999 109.104 174.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 t -106.34 125.84 62.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.714 -0.476 . . . . 0.25 109.714 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.69 150.19 17.79 Favored Glycine 0 N--CA 1.445 -0.719 0 CA-C-N 115.668 -0.696 . . . . 0.23999999999999999 111.814 -174.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.62 11.8 65.52 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.401 -0.904 . . . . 0.23999999999999999 112.522 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.3 mt -73.24 138.03 78.59 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-O 120.98 0.419 . . . . 0.20000000000000001 111.909 -175.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 36.9 Cg_endo -69.24 147.75 66.92 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.102 1.868 . . . . 0.28000000000000003 110.271 172.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -64.48 -16.67 62.88 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.814 0.302 . . . . 0.54000000000000004 111.814 -174.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -77.75 -21.21 52.12 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.884 0.327 . . . . 2.3700000000000001 111.884 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.3 m -56.06 134.0 52.29 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 120.836 0.351 . . . . 0.34999999999999998 111.535 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.7 p -111.31 163.67 13.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.26000000000000001 110.184 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.57 -35.86 61.26 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.923 -0.581 . . . . 0.55000000000000004 110.526 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -67.3 -37.57 83.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.713 -0.676 . . . . 2.2400000000000002 110.623 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.9 m -63.71 -41.57 98.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 0.39000000000000001 111.06 -178.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.6 mt -70.49 -42.98 70.65 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.381 -0.6 . . . . 0.26000000000000001 109.381 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -56.19 -56.01 26.15 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.227 -0.897 . . . . 0.69999999999999996 110.204 176.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.671 ' HA ' ' OE2' ' A' ' 56' ' ' GLU . 2.0 pt-20 -61.37 -37.32 82.95 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.617 0.599 . . . . 2.6800000000000002 112.617 -176.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -70.9 -53.92 13.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.069 0.461 . . . . 0.84999999999999998 110.91 -177.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.454 ' HB2' HD11 ' A' ' 61' ' ' ILE . 68.8 m-85 -73.04 -27.91 62.03 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.021 0.748 . . . . 0.23999999999999999 113.021 -177.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.671 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 11.8 pt-20 -64.51 -18.32 64.7 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.75 -0.38 . . . . 1.9299999999999999 111.091 -175.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -66.96 -8.09 27.06 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.97 0.359 . . . . 2.0600000000000001 111.97 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -92.11 -9.15 43.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.511 0.196 . . . . 0.29999999999999999 111.164 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.22 -104.82 0.26 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.71 -0.757 . . . . 1.3600000000000001 112.508 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.59 ' HB3' ' HE3' ' A' ' 84' ' ' LYS . 5.0 m-20 -130.08 139.42 50.95 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.819 0.342 . . . . 0.65000000000000002 111.34 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.481 HG12 ' SD ' ' A' ' 83' ' ' MET . 43.4 mt -111.77 136.64 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.055 -0.52 . . . . 0.22 110.547 174.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -80.66 -43.99 19.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.281 0.563 . . . . 1.5900000000000001 109.63 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -160.39 140.14 11.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 114.924 -1.034 . . . . 2.2999999999999998 109.89 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.414 ' HB2' HG21 ' A' ' 61' ' ' ILE . . . -136.39 118.13 15.06 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.182 -0.303 . . . . 0.17000000000000001 110.182 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.8 m -136.59 146.14 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.119 0.485 . . . . 0.32000000000000001 111.904 -175.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.4 t -94.25 134.09 32.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 107.352 -1.351 . . . . 0.23000000000000001 107.352 168.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.829 HG12 ' HA2' ' A' ' 79' ' ' GLY . 26.8 mm -85.29 126.26 40.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.57 0.7 . . . . 0.17000000000000001 110.926 -168.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.518 HG22 ' HA ' ' A' ' 75' ' ' SER . 41.2 p -120.91 150.11 41.58 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 114.788 -1.096 . . . . 0.34000000000000002 108.431 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -55.89 129.4 39.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.886 0.374 . . . . 0.64000000000000001 111.403 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -58.93 -21.8 58.71 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.832 0.679 . . . . 5.2400000000000002 112.832 -175.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -95.19 -54.93 3.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.796 0.332 . . . . 1.6499999999999999 111.685 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.4 p -92.84 -18.6 22.65 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.175 0.435 . . . . 0.70999999999999996 112.175 -173.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.407 ' C ' ' HB ' ' A' ' 68' ' ' THR . 76.4 mt-30 68.03 26.38 7.32 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.224 -0.898 . . . . 1.4199999999999999 110.892 178.046 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -86.09 134.12 33.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.332 -0.849 . . . . 2.2000000000000002 109.621 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.518 ' HA ' HG22 ' A' ' 68' ' ' THR . 6.6 m -58.85 127.92 34.62 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.143 0.277 . . . . 1.1499999999999999 110.932 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -92.35 13.25 19.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.328 0.585 . . . . 2.1600000000000001 111.28 -176.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.87 11.75 81.05 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.662 -0.78 . . . . 0.26000000000000001 114.714 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -146.9 168.08 22.35 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 117.334 0.567 . . . . 0.46000000000000002 109.631 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.829 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -156.83 -179.07 31.51 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.239 -0.982 . . . . 0.14000000000000001 112.746 -176.523 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.444 ' HD1' HD11 ' A' ' 67' ' ' ILE . 60.3 m-85 -132.49 138.16 47.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.745 0.784 . . . . 0.31 111.703 -179.006 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.3 t -121.28 124.38 71.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 114.657 -1.156 . . . . 0.28999999999999998 109.423 172.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.4 m -106.8 109.71 21.68 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 107.672 -1.233 . . . . 0.26000000000000001 107.672 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.501 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.8 mmm -83.43 146.5 28.39 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.456 -0.572 . . . . 0.42999999999999999 109.456 -176.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.59 ' HE3' ' HB3' ' A' ' 60' ' ' ASP . 36.8 ttmt -70.55 -18.38 62.92 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.23 -0.895 . . . . 1.46 109.867 -177.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.86 146.57 37.7 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.398 0.618 . . . . 1.02 111.182 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -64.03 -43.21 96.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.1 -0.954 . . . . 2.9500000000000002 113.065 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -63.28 -40.24 96.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.993 0.425 . . . . 0.27000000000000002 110.626 -177.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.3 m -62.47 -43.2 99.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.672 -0.695 . . . . 0.55000000000000004 110.186 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.553 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -63.65 -39.22 93.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.353 -0.84 . . . . 0.17000000000000001 111.266 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -67.98 -39.49 83.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.042 -0.526 . . . . 2.0800000000000001 110.74 -177.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 18.8 mmt180 -60.53 -39.19 86.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.949 0.404 . . . . 3.23 110.299 179.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.24 99.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.20000000000000001 111.406 175.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 57.6 m -81.23 -14.84 57.07 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.179 0.437 . . . . 0.32000000000000001 112.179 -175.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -65.87 -35.28 80.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.7 0.286 . . . . 2.8999999999999999 110.557 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -107.92 96.45 17.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.601 -0.888 . . . . 1.1200000000000001 108.601 172.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.477 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.4 Cg_endo -69.92 -4.08 13.42 Favored 'Trans proline' 0 N--CA 1.467 -0.071 0 C-N-CA 123.086 2.524 . . . . 0.47999999999999998 114.823 -168.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 85.0 m-20 -126.64 62.53 49.8 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.671 0.619 . . . . 0.67000000000000004 112.671 -175.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -75.46 142.35 26.41 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.103 1.869 . . . . 0.47999999999999998 112.016 175.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 49.8 mm -84.76 111.05 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.445 -0.343 . . . . 0.42999999999999999 110.109 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.6 mt -122.79 121.57 63.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.058 -0.519 . . . . 0.44 110.1 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.9 t70 60.62 32.67 20.39 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.835 0.826 . . . . 1.3300000000000001 109.825 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.08 4.21 88.69 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 115.414 -0.812 . . . . 0.51000000000000001 112.913 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.477 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 20.3 tpt180 -116.51 138.69 51.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.604 0.24 . . . . 1.97 110.954 -178.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -83.24 120.09 25.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.166 0.508 . . . . 1.8700000000000001 110.074 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.46 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.18 161.2 14.98 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.174 -0.921 . . . . 0.20999999999999999 111.456 -175.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 59.4 m-20 -107.17 115.46 30.21 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.269 -1.011 . . . . 1.53 108.269 175.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.8 t -113.7 126.18 71.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.003 0.43 . . . . 0.38 112.009 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -154.57 155.23 34.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.529 -0.759 . . . . 0.60999999999999999 109.818 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.8 mt -55.31 130.47 42.51 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 110.06 -0.348 . . . . 0.23000000000000001 110.06 174.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.07 -33.7 73.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.677 0.621 . . . . 0.22 112.677 -169.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -70.38 -16.4 62.96 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.849 -0.34 . . . . 0.44 110.976 -175.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.89 -17.25 63.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.182 -0.463 . . . . 0.44 111.94 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -139.86 14.79 3.1 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 111.104 -0.798 . . . . 0.38 111.104 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.363 -0.419 . . . . 0.57999999999999996 110.521 -176.842 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.602 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 37.1 p . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 112.477 0.547 . . . . 0.76000000000000001 112.477 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 27.4 ttt -52.98 -52.86 56.84 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.79 0.663 . . . . 0.91000000000000003 112.79 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.515 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 99.0 m-85 -102.74 -0.18 31.98 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.7 -0.4 . . . . 0.85999999999999999 111.412 -176.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.487 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 40.8 p -109.85 -21.67 12.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.104 0.409 . . . . 0.25 112.104 -174.279 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.602 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 86.4 tttt -85.27 113.69 21.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.162 0.506 . . . . 1.28 110.523 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.487 HD11 ' HA ' ' A' ' 89' ' ' ALA . 67.4 mt -103.36 134.75 43.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.473 -0.785 . . . . 0.20999999999999999 110.654 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -99.41 126.29 45.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.57 -0.53 . . . . 0.29999999999999999 109.57 174.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.501 HG13 HG22 ' A' ' 107' ' ' VAL . 5.0 t -109.41 130.32 62.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.253 -0.431 . . . . 0.25 109.985 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.41 159.35 21.39 Favored Glycine 0 C--O 1.226 -0.406 0 CA-C-N 116.047 -0.524 . . . . 0.23999999999999999 112.131 -174.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.2 11.39 84.95 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.964 -0.636 . . . . 0.23999999999999999 112.761 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.1 mt -68.29 135.56 91.19 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 120.69 0.281 . . . . 0.20000000000000001 111.158 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.496 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 20.5 Cg_endo -63.1 148.19 93.53 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 121.768 1.646 . . . . 0.28000000000000003 110.312 174.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -65.66 -26.23 67.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.785 0.326 . . . . 0.54000000000000004 111.184 -171.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -78.69 -12.48 60.02 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.867 0.692 . . . . 2.3700000000000001 112.867 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.496 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 95.0 m -56.33 139.23 49.09 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.074 0.397 . . . . 0.34999999999999998 111.864 175.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.2 p -111.75 163.0 14.64 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 116.332 -0.394 . . . . 0.26000000000000001 111.132 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.51 -36.22 61.5 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.556 -0.747 . . . . 0.55000000000000004 110.712 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -67.34 -35.74 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.871 -0.604 . . . . 2.2400000000000002 110.876 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.548 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 8.3 m -65.81 -39.09 90.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 0.39000000000000001 110.989 178.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.8 mt -70.57 -41.32 72.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.411 0.624 . . . . 0.26000000000000001 109.401 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -54.9 -55.42 30.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.379 -1.282 . . . . 0.69999999999999996 110.119 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 50' ' ' THR . 8.9 pt-20 -59.57 -42.53 92.7 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.683 0.623 . . . . 2.6800000000000002 112.683 -175.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.462 ' OH ' ' HB3' ' A' ' 98' ' ' PRO . 64.1 t80 -70.19 -53.17 18.28 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.68 -0.408 . . . . 0.84999999999999998 111.562 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.454 ' HB2' HD11 ' A' ' 61' ' ' ILE . 75.6 m-85 -72.38 -28.08 62.78 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.48 0.919 . . . . 0.23999999999999999 113.48 -175.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 12.3 pt-20 -67.33 -17.92 64.95 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.461 -0.496 . . . . 1.9299999999999999 110.824 -175.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -67.02 -9.33 37.89 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.345 -0.389 . . . . 2.0600000000000001 111.741 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -91.69 -11.6 36.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.809 0.337 . . . . 0.29999999999999999 110.982 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 157.62 -105.53 0.27 Allowed Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.481 -0.866 . . . . 1.3600000000000001 112.838 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -126.49 132.16 51.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.618 0.246 . . . . 0.65000000000000002 111.204 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.454 HD11 ' HB2' ' A' ' 55' ' ' PHE . 34.7 mt -103.18 139.5 23.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.993 0.425 . . . . 0.22 110.936 172.267 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -81.63 -47.37 13.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.497 -0.774 . . . . 1.5900000000000001 109.989 172.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -157.15 140.73 15.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.487 -0.779 . . . . 2.2999999999999998 110.401 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.98 116.21 13.49 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.848 -0.427 . . . . 0.17000000000000001 109.848 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.83 149.69 26.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.945 0.403 . . . . 0.32000000000000001 111.897 -174.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -98.79 134.31 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.881 -1.155 . . . . 0.23000000000000001 107.881 169.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.963 HG12 ' HA2' ' A' ' 79' ' ' GLY . 22.4 mm -84.34 126.52 40.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.548 0.689 . . . . 0.17000000000000001 111.385 -167.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.533 HG22 ' HA ' ' A' ' 75' ' ' SER . 39.0 p -125.18 146.29 49.57 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.37 -1.286 . . . . 0.34000000000000002 108.188 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 73' ' ' GLN . 15.6 t70 -57.59 136.43 56.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.668 0.271 . . . . 0.64000000000000001 111.092 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -57.69 -30.61 65.61 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.819 0.674 . . . . 5.2400000000000002 112.819 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -94.49 -54.53 3.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.215 0.45 . . . . 1.6499999999999999 112.215 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 p -91.39 -19.03 23.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.097 0.475 . . . . 0.70999999999999996 111.707 -175.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 48.8 mt-30 68.03 26.79 7.22 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.077 -0.965 . . . . 1.4199999999999999 111.177 173.161 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -87.15 131.65 34.1 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.459 -0.571 . . . . 2.2000000000000002 109.459 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.533 ' HA ' HG22 ' A' ' 68' ' ' THR . 13.7 m -58.8 128.83 39.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.895 0.378 . . . . 1.1499999999999999 110.786 176.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -98.25 13.44 31.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.035 -0.53 . . . . 2.1600000000000001 111.414 -173.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.08 16.87 79.45 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.73 -0.748 . . . . 0.26000000000000001 114.312 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.443 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 37.5 p90 -153.3 167.65 28.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.635 0.718 . . . . 0.46000000000000002 110.39 175.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.963 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -158.24 -173.95 27.32 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.512 -0.851 . . . . 0.14000000000000001 112.864 -175.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.492 ' HD1' HD11 ' A' ' 67' ' ' ILE . 49.8 m-85 -133.97 145.45 49.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.662 0.744 . . . . 0.31 112.172 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.1 t -130.99 127.51 61.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 114.459 -1.246 . . . . 0.28999999999999998 109.756 171.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.5 m -104.9 110.44 22.82 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.211 -1.033 . . . . 0.26000000000000001 108.211 175.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.567 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.6 mmm -84.49 149.48 25.91 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.247 0.546 . . . . 0.42999999999999999 110.658 -178.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -75.26 -18.04 60.17 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.194 -0.912 . . . . 1.46 111.181 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -144.51 149.39 35.84 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.271 -0.422 . . . . 1.02 110.483 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.515 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 47.1 ttt180 -63.11 -42.27 99.53 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.031 -0.532 . . . . 2.9500000000000002 111.633 -177.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.635 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -61.61 -44.38 97.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.307 . . . . 0.27000000000000002 110.713 -173.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.5 m -63.5 -42.39 98.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.174 -0.466 . . . . 0.55000000000000004 110.152 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.567 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.76 -44.84 95.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.416 0.627 . . . . 0.17000000000000001 111.156 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -70.4 -35.15 73.28 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.538 -0.756 . . . . 2.0800000000000001 111.392 -175.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.635 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 17.5 mmt180 -60.76 -39.88 90.42 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.415 -0.587 . . . . 3.23 109.415 175.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.73 78.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.538 -0.755 . . . . 0.20000000000000001 111.028 175.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.0 m -81.34 -10.83 59.48 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 111.588 0.218 . . . . 0.32000000000000001 111.588 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.484 ' HD2' ' O ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -65.61 -39.66 91.77 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.33 -0.619 . . . . 2.8999999999999999 109.33 177.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -101.1 93.81 3.38 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.081 -0.711 . . . . 1.1200000000000001 109.081 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.511 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 60.4 Cg_endo -69.99 -12.15 31.89 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.762 2.308 . . . . 0.47999999999999998 113.759 -170.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.673 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 88.3 m-20 -130.01 68.25 80.64 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 112.285 0.476 . . . . 0.67000000000000004 112.285 -176.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.462 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 9.7 Cg_exo -73.73 139.39 27.81 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.967 2.445 . . . . 0.47999999999999998 112.035 174.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.4 mm -84.71 111.18 20.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.008 0.432 . . . . 0.42999999999999999 110.272 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.5 mt -121.96 121.66 64.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.788 -0.642 . . . . 0.44 110.045 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.435 ' OD2' HG21 ' A' ' 50' ' ' THR . 32.1 m-20 59.45 33.15 22.19 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.531 -0.759 . . . . 1.3300000000000001 110.481 -177.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.3 15.2 78.92 Favored Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.704 -0.68 . . . . 0.51000000000000001 113.441 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.435 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 24.4 tpt180 -120.03 143.82 47.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.385 -0.48 . . . . 1.97 110.486 178.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -78.22 120.44 23.01 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.292 -0.413 . . . . 1.8700000000000001 110.081 176.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.673 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.49 158.41 16.93 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.863 0.364 . . . . 0.20999999999999999 110.763 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.511 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 5.6 m-20 -112.65 115.73 29.04 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.131 -0.692 . . . . 1.53 109.131 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.501 HG22 HG13 ' A' ' 39' ' ' VAL . 59.5 t -115.37 132.65 64.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 112.291 0.478 . . . . 0.38 112.291 -176.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -151.79 152.84 33.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.382 -0.827 . . . . 0.60999999999999999 109.846 173.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.402 HD23 HG12 ' A' ' 37' ' ' ILE . 86.0 mt -55.57 131.03 45.25 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.089 -0.708 . . . . 0.23000000000000001 109.089 172.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.36 -36.22 70.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.046 0.758 . . . . 0.22 113.046 -168.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -71.89 -13.15 61.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.901 0.382 . . . . 0.44 111.504 -175.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.6 -12.54 60.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.558 -0.292 . . . . 0.44 111.198 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.69 13.8 1.55 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 0.38 112.026 -178.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.982 0.42 . . . . 0.57999999999999996 110.227 -179.088 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.604 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 0.8 OUTLIER . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 112.512 0.56 . . . . 0.76000000000000001 112.512 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 61.7 mtp -54.07 -53.26 55.62 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.982 0.734 . . . . 0.91000000000000003 112.982 -177.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.606 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 77.5 m-85 -105.91 -0.96 24.67 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.555 -0.458 . . . . 0.85999999999999999 111.398 -176.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.604 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 41.5 p -101.52 -22.53 14.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.742 0.275 . . . . 0.25 111.742 -176.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HE3' ' CE2' ' A' ' 80' ' ' PHE . 35.6 tttp -86.65 112.56 21.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.012 0.434 . . . . 1.28 109.9 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.637 HD11 ' HA ' ' A' ' 89' ' ' ALA . 62.7 mt -100.01 130.89 48.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 116.054 -0.521 . . . . 0.20999999999999999 110.471 178.012 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -104.82 128.94 53.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.564 -0.532 . . . . 0.29999999999999999 109.564 174.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.626 HG13 HG22 ' A' ' 107' ' ' VAL . 3.6 t -113.01 132.5 61.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.848 -0.426 . . . . 0.25 109.848 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.85 151.43 18.21 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.982 -0.554 . . . . 0.23999999999999999 111.798 -175.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.79 14.31 79.89 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.639 -0.791 . . . . 0.23999999999999999 112.545 177.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.7 mt -66.54 130.0 94.12 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 120.626 0.25 . . . . 0.20000000000000001 110.893 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 18.8 Cg_endo -58.58 148.13 83.28 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.121 1.88 . . . . 0.28000000000000003 110.378 173.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -64.56 -13.69 54.12 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.941 -0.303 . . . . 0.54000000000000004 111.628 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.545 ' HB2' ' OD1' ' A' ' 101' ' ' ASP . 14.1 m80 -75.95 -22.33 56.07 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 121.026 -0.27 . . . . 2.3700000000000001 111.382 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 m -55.06 127.87 31.07 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.97 0.414 . . . . 0.34999999999999998 111.776 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.1 p -111.35 161.14 16.38 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.712 -0.676 . . . . 0.26000000000000001 109.46 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.409 ' OD1' ' HA ' ' A' ' 65' ' ' VAL . 2.4 m-20 -53.99 -34.34 59.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.039 -0.528 . . . . 0.55000000000000004 110.779 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -60.19 -46.8 88.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.336 -0.847 . . . . 2.2400000000000002 111.135 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.7 m -64.78 -38.15 90.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.411 -0.359 . . . . 0.39000000000000001 111.334 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.2 mt -69.12 -45.46 70.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.365 -0.606 . . . . 0.26000000000000001 109.365 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 22.3 t-80 -55.61 -55.03 36.86 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.146 -0.934 . . . . 0.69999999999999996 110.622 176.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.668 ' HG3' ' N ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -62.02 -37.95 86.81 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.206 0.447 . . . . 2.6800000000000002 112.206 -175.822 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.668 ' N ' ' HG3' ' A' ' 53' ' ' GLU . 15.4 t80 -70.53 -53.65 15.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 0.84999999999999998 111.404 -174.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.526 ' HB2' HD11 ' A' ' 61' ' ' ILE . 84.5 m-85 -72.92 -27.67 62.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.643 0.609 . . . . 0.23999999999999999 112.643 -178.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.484 ' HG2' HD12 ' A' ' 61' ' ' ILE . 1.5 mm-40 -62.79 -17.74 61.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.937 0.399 . . . . 1.9299999999999999 110.926 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -67.84 -17.41 64.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.379 -0.373 . . . . 2.0600000000000001 111.07 174.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -92.38 -24.37 18.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 0.29999999999999999 110.601 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.25 -172.65 38.41 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.947 -0.644 . . . . 1.3600000000000001 112.189 -177.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.93 130.08 41.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.043 0.449 . . . . 0.65000000000000002 111.401 -176.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.549 HG12 ' SD ' ' A' ' 83' ' ' MET . 18.5 mt -99.3 139.58 20.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.692 -0.685 . . . . 0.22 112.195 176.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 82' ' ' THR . 40.8 mm-40 -77.69 -51.25 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.774 -1.103 . . . . 1.5900000000000001 109.717 173.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -159.68 139.86 11.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.595 -1.184 . . . . 2.2999999999999998 109.529 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.39 115.58 12.5 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.768 -0.456 . . . . 0.17000000000000001 109.768 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.409 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 30.6 m -137.56 150.11 25.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.136 0.493 . . . . 0.32000000000000001 111.784 -176.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.0 t -94.95 134.42 32.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.113 -1.069 . . . . 0.23000000000000001 108.113 169.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.791 HG12 ' HA2' ' A' ' 79' ' ' GLY . 28.6 mm -85.58 125.24 40.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.5 0.667 . . . . 0.17000000000000001 110.856 -170.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.714 HG22 ' HA ' ' A' ' 75' ' ' SER . 76.7 p -123.7 149.54 45.38 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.66 -1.155 . . . . 0.34000000000000002 108.566 177.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -57.58 127.04 30.04 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.529 -0.545 . . . . 0.64000000000000001 109.529 172.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.574 ' H ' ' HD3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -59.63 -20.77 58.24 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.047 0.758 . . . . 5.2400000000000002 113.047 -174.445 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.49 ' OD1' ' HG2' ' A' ' 70' ' ' ARG . 4.5 m-20 -90.57 -53.09 4.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.789 0.292 . . . . 1.6499999999999999 111.789 -175.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.9 p -91.37 -20.36 21.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.101 0.477 . . . . 0.70999999999999996 111.195 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 64.02 32.86 12.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.944 -1.025 . . . . 1.4199999999999999 110.964 174.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -97.94 138.36 35.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.073 -0.967 . . . . 2.2000000000000002 109.437 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.714 ' HA ' HG22 ' A' ' 68' ' ' THR . 9.0 m -59.39 131.24 50.37 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.155 0.284 . . . . 1.1499999999999999 110.779 -177.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.425 ' HB2' ' CE2' ' A' ' 78' ' ' TYR . 27.8 mtp180 -96.56 15.11 22.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.308 0.575 . . . . 2.1600000000000001 110.739 -175.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.29 13.88 81.12 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-N 115.435 -0.802 . . . . 0.26000000000000001 114.688 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' A' ' 76' ' ' ARG . 54.3 p90 -150.57 167.89 25.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.654 0.727 . . . . 0.46000000000000002 109.997 177.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.791 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -159.12 -177.55 32.3 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 119.995 -1.098 . . . . 0.14000000000000001 112.989 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.401 ' CE2' ' HE3' ' A' ' 36' ' ' LYS . 55.5 m-85 -133.24 139.31 46.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.727 0.775 . . . . 0.31 112.126 -177.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 t -125.92 127.2 70.98 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 114.396 -1.275 . . . . 0.28999999999999998 108.765 168.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 19.5 m -106.05 113.25 26.67 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 107.861 -1.162 . . . . 0.26000000000000001 107.861 174.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.583 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.6 mmm -85.41 145.89 27.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.201 0.524 . . . . 0.42999999999999999 110.368 -178.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -69.43 -18.78 63.77 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.22 -0.9 . . . . 1.46 111.236 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -144.74 150.7 37.71 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.951 0.405 . . . . 1.02 111.342 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.606 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 24.9 ttm180 -59.86 -43.22 94.78 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.359 -0.837 . . . . 2.9500000000000002 112.459 -176.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -64.71 -43.8 92.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.465 -0.334 . . . . 0.27000000000000002 110.886 -173.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.4 m -62.43 -43.39 98.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.335 0.588 . . . . 0.55000000000000004 109.811 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.637 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -63.94 -44.82 91.69 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.244 -0.889 . . . . 0.17000000000000001 111.221 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -69.59 -37.06 76.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.222 -0.444 . . . . 2.0800000000000001 111.525 -176.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 4.9 mtp180 -60.57 -40.45 91.72 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 120.573 -0.451 . . . . 3.23 109.901 177.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.42 -35.74 80.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.579 -0.737 . . . . 0.20000000000000001 111.406 175.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.1 m -81.89 -9.34 59.62 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 112.348 0.499 . . . . 0.32000000000000001 112.348 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -63.93 -38.3 90.58 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 121.297 -0.161 . . . . 2.8999999999999999 111.395 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -111.34 102.67 53.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.269 -0.641 . . . . 1.1200000000000001 109.269 176.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.556 ' C ' ' HD3' ' A' ' 98' ' ' PRO . 59.9 Cg_endo -71.06 -2.75 11.58 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.985 2.457 . . . . 0.47999999999999998 114.588 -174.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.493 ' N ' ' HD3' ' A' ' 98' ' ' PRO . 8.8 m-20 -121.98 55.49 6.13 Favored Pre-proline 0 N--CA 1.472 0.658 0 N-CA-C 112.933 0.716 . . . . 0.67000000000000004 112.933 -176.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.556 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 4.8 Cg_exo -73.9 138.06 25.36 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.288 1.992 . . . . 0.47999999999999998 111.907 177.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 49.1 mm -83.75 116.62 28.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.171 -0.468 . . . . 0.42999999999999999 110.562 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.3 mt -126.03 124.46 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 0.44 110.48 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.545 ' OD1' ' HB2' ' A' ' 45' ' ' HIS . 33.9 t70 59.19 34.51 23.2 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.859 0.838 . . . . 1.3300000000000001 110.079 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.71 12.43 82.76 Favored Glycine 0 CA--C 1.522 0.524 0 CA-C-N 115.44 -0.8 . . . . 0.51000000000000001 113.798 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.419 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 70.8 ttt180 -130.4 140.65 50.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.298 0.549 . . . . 1.97 110.386 -179.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.439 ' HD3' ' ND2' ' A' ' 97' ' ' ASN . 37.9 ttmt -73.64 123.52 24.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.389 -0.369 . . . . 1.8700000000000001 110.699 -179.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.33 159.47 16.35 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.596 -0.729 . . . . 0.20999999999999999 110.475 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.536 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 91.7 m-20 -111.13 115.51 29.53 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.167 -0.679 . . . . 1.53 109.167 178.279 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.626 HG22 HG13 ' A' ' 39' ' ' VAL . 97.7 t -119.11 133.43 65.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.397 0.518 . . . . 0.38 112.397 -175.347 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -159.37 160.0 34.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.345 -0.843 . . . . 0.60999999999999999 109.319 174.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.4 mt -55.67 127.88 32.06 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.926 -0.398 . . . . 0.23000000000000001 109.926 174.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.97 70.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.862 0.69 . . . . 0.22 112.862 -169.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -70.82 -15.92 62.69 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 121.074 -0.251 . . . . 0.44 111.329 -176.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.5 mt -76.76 -8.51 57.44 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.482 0.549 . . . . 0.44 112.482 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.98 13.64 1.7 Allowed Glycine 0 C--N 1.323 -0.14 0 C-N-CA 120.728 -0.749 . . . . 0.38 112.037 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-O 120.839 0.352 . . . . 0.57999999999999996 111.14 -178.092 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.411 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 7.4 p . . . . . 0 C--O 1.227 -0.081 0 N-CA-C 112.373 0.508 . . . . 0.76000000000000001 112.373 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 69.7 mtp -54.92 -52.3 63.38 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.36 0.874 . . . . 0.91000000000000003 113.36 -174.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.587 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 81.1 m-85 -105.75 0.48 26.21 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.162 -0.615 . . . . 0.85999999999999999 111.168 -176.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 26.0 p -106.33 -30.21 9.29 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.544 -0.298 . . . . 0.25 111.713 -175.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -82.92 111.7 19.04 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 121.177 0.513 . . . . 1.28 109.743 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.409 HG12 HD23 ' A' ' 109' ' ' LEU . 63.8 mt -101.76 132.77 47.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.451 -0.795 . . . . 0.20999999999999999 110.431 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -97.42 123.43 41.26 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.424 -0.584 . . . . 0.29999999999999999 109.424 175.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.523 HG13 HG22 ' A' ' 107' ' ' VAL . 3.7 t -104.33 124.67 58.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.355 -0.609 . . . . 0.25 109.355 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.24 156.98 19.3 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.098 -0.572 . . . . 0.23999999999999999 112.256 -173.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.15 9.85 86.65 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.916 -0.659 . . . . 0.23999999999999999 112.534 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.19 135.02 93.55 Favored Pre-proline 0 C--N 1.327 -0.389 0 C-N-CA 122.301 0.24 . . . . 0.20000000000000001 110.66 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 45.7 Cg_endo -68.9 152.35 73.6 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.028 1.818 . . . . 0.28000000000000003 110.292 174.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -63.59 -14.76 54.64 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.988 0.366 . . . . 0.54000000000000004 111.988 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.409 ' HB2' ' OD1' ' A' ' 101' ' ' ASP . 11.8 m80 -76.27 -22.78 54.69 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.888 0.329 . . . . 2.3700000000000001 111.888 178.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.7 m -58.21 134.81 56.84 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.296 0.48 . . . . 0.34999999999999998 112.296 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.9 p -117.14 167.52 11.11 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.161 -0.472 . . . . 0.26000000000000001 110.367 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -53.12 -39.62 63.6 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.895 -0.593 . . . . 0.55000000000000004 111.419 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.584 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 37.9 ttpt -69.11 -33.77 74.0 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.35 -0.387 . . . . 2.2400000000000002 110.119 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.0 m -62.04 -40.39 95.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.995 0.426 . . . . 0.39000000000000001 110.191 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.5 mt -71.91 -40.99 68.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.26000000000000001 110.29 176.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -55.34 -56.0 25.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.605 -0.725 . . . . 0.69999999999999996 111.067 177.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 9.5 mm-40 -59.67 -43.65 93.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.632 0.604 . . . . 2.6800000000000002 112.632 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.456 ' OH ' ' HB3' ' A' ' 98' ' ' PRO . 73.3 t80 -70.17 -52.59 22.24 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.914 -0.714 . . . . 0.84999999999999998 111.911 -175.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.469 ' CB ' HD11 ' A' ' 61' ' ' ILE . 79.0 m-85 -71.81 -27.64 63.06 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.143 0.794 . . . . 0.23999999999999999 113.143 -176.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -17.68 64.99 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.387 -0.525 . . . . 1.9299999999999999 110.843 -175.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -67.58 -11.58 58.42 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.961 -0.563 . . . . 2.0600000000000001 111.158 177.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 43.5 m-85 -92.38 -30.22 15.9 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 122.303 -0.248 . . . . 0.29999999999999999 111.135 178.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.16 -168.64 36.51 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.41 -0.9 . . . . 1.3600000000000001 112.568 -174.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -63.03 117.6 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.469 0.652 . . . . 0.65000000000000002 112.334 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.514 HG12 ' SD ' ' A' ' 83' ' ' MET . 31.9 mt -96.66 133.44 38.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.435 -0.802 . . . . 0.22 111.054 168.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.451 ' OE1' ' HE2' ' A' ' 84' ' ' LYS . 1.9 mm-40 -80.3 -42.32 23.26 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.117 -0.947 . . . . 1.5900000000000001 109.607 174.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -157.63 135.33 10.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.155 -0.93 . . . . 2.2999999999999998 109.685 -173.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.91 113.71 10.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 117.832 0.287 . . . . 0.17000000000000001 110.3 176.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 m -139.24 150.79 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.304 0.483 . . . . 0.32000000000000001 112.304 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.6 t -96.74 133.92 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 107.788 -1.19 . . . . 0.23000000000000001 107.788 169.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.83 HG12 ' HA2' ' A' ' 79' ' ' GLY . 26.0 mm -82.92 128.37 38.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-O 121.679 0.752 . . . . 0.17000000000000001 110.942 -169.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.75 HG22 ' HA ' ' A' ' 75' ' ' SER . 32.5 p -129.48 147.04 51.25 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.425 -1.261 . . . . 0.34000000000000002 107.835 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.97 132.03 48.21 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.854 -0.738 . . . . 0.64000000000000001 109.744 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.594 ' HD2' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -61.66 -15.99 44.72 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.429 0.9 . . . . 5.2400000000000002 113.429 -172.332 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -86.06 -58.39 2.66 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.68 -0.408 . . . . 1.6499999999999999 110.898 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.1 p -96.59 -20.68 18.16 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.28 0.474 . . . . 0.70999999999999996 112.28 -174.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 68.34 23.49 7.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.468 -0.787 . . . . 1.4199999999999999 110.891 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -77.82 150.91 34.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.043 -0.526 . . . . 2.2000000000000002 109.787 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.75 ' HA ' HG22 ' A' ' 68' ' ' THR . 15.5 m -75.56 123.49 25.57 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.01 -0.367 . . . . 1.1499999999999999 110.01 -171.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.565 ' HD2' HG22 ' A' ' 67' ' ' ILE . 54.1 mtt180 -82.02 5.74 18.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.046 0.451 . . . . 2.1600000000000001 111.523 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.58 10.89 80.13 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.827 -0.701 . . . . 0.26000000000000001 114.124 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.491 ' CE2' ' HB3' ' A' ' 76' ' ' ARG . 40.7 p90 -149.6 165.04 33.47 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.268 -0.641 . . . . 0.46000000000000002 109.268 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.83 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -154.38 -175.81 25.99 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 119.91 -1.138 . . . . 0.14000000000000001 112.766 -176.014 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -132.74 138.26 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.6 0.714 . . . . 0.31 111.373 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.3 t -122.98 123.27 67.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 114.664 -1.153 . . . . 0.28999999999999998 109.346 170.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -101.81 108.92 20.56 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.35 -0.981 . . . . 0.26000000000000001 108.35 177.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.542 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.8 mmm -84.2 148.33 26.8 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.37 0.605 . . . . 0.42999999999999999 110.579 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.451 ' HE2' ' OE1' ' A' ' 62' ' ' GLU . 19.7 ttmt -75.85 -17.94 59.62 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.768 -1.105 . . . . 1.46 110.625 -177.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -147.36 151.01 35.82 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.351 0.596 . . . . 1.02 110.984 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.587 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 4.7 ttm180 -60.7 -41.79 95.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.303 -0.862 . . . . 2.9500000000000002 111.947 -176.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.705 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -66.04 -45.74 80.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.365 -0.38 . . . . 0.27000000000000002 111.171 -170.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.8 m -63.7 -39.11 93.49 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.61 -0.515 . . . . 0.55000000000000004 109.61 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.542 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.83 -44.72 95.38 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.953 -0.567 . . . . 0.17000000000000001 111.002 177.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -71.37 -34.69 70.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.738 -0.664 . . . . 2.0800000000000001 111.919 -175.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.705 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 29.9 mmm180 -60.24 -39.94 88.47 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.118 -0.697 . . . . 3.23 109.118 175.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.522 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -61.38 -37.26 82.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.514 -0.767 . . . . 0.20000000000000001 111.166 175.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 64.4 m -81.43 -12.57 58.88 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.064 0.394 . . . . 0.32000000000000001 112.064 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -65.64 -34.62 78.65 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.193 0.52 . . . . 2.8999999999999999 109.739 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -108.07 88.86 5.02 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 108.619 -0.882 . . . . 1.1200000000000001 108.619 172.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.537 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 54.5 Cg_endo -69.09 -3.83 12.35 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.0 2.467 . . . . 0.47999999999999998 113.944 -174.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.657 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 89.0 m-20 -129.18 67.09 78.01 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 111.973 0.36 . . . . 0.67000000000000004 111.973 -178.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.456 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 5.0 Cg_exo -74.69 142.11 28.48 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.789 2.326 . . . . 0.47999999999999998 111.705 174.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.3 mm -83.32 110.44 18.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.43 -0.582 . . . . 0.42999999999999999 109.43 172.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.4 mt -125.79 120.59 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.064 -0.517 . . . . 0.44 110.167 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 45' ' ' HIS . 26.4 t70 60.5 34.86 20.34 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.984 0.897 . . . . 1.3300000000000001 110.246 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.21 3.51 88.47 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.025 -0.989 . . . . 0.51000000000000001 112.87 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.516 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 15.7 tpt180 -115.37 137.02 52.48 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 122.723 -0.281 . . . . 1.97 110.673 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -74.84 120.16 20.01 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.438 -0.949 . . . . 1.8700000000000001 108.438 171.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.657 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.41 159.2 16.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.295 -0.411 . . . . 0.20999999999999999 110.666 -175.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.537 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 3.7 m-20 -115.07 115.3 26.57 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.201 -0.666 . . . . 1.53 109.201 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.523 HG22 HG13 ' A' ' 39' ' ' VAL . 94.5 t -117.76 134.23 62.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.898 0.38 . . . . 0.38 111.936 -175.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -155.9 155.97 33.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.809 -0.632 . . . . 0.60999999999999999 110.05 175.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 34' ' ' PHE . 88.1 mt -55.81 130.64 44.3 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.712 -0.477 . . . . 0.23000000000000001 109.712 174.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.11 -33.04 73.7 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.229 0.826 . . . . 0.22 113.229 -167.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -68.08 -16.51 64.05 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.786 -0.366 . . . . 0.44 111.298 -175.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.1 mt -71.16 -8.15 51.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.332 0.493 . . . . 0.44 112.332 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.74 12.62 0.99 Allowed Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.766 -0.73 . . . . 0.38 111.328 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.127 0.489 . . . . 0.57999999999999996 112.004 -174.132 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.999 0 N-CA-C 112.231 -0.348 . . . . 7.0599999999999996 112.231 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 73.17 12.74 4.88 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.557 0.743 . . . . 4.3399999999999999 111.761 178.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 25.5 mmt -122.28 -80.46 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.094 0.473 . . . . 6.9400000000000004 110.045 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -108.51 20.72 29.56 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.598 -0.811 . . . . 3.1600000000000001 112.021 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 p -85.71 81.94 8.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.897 0.379 . . . . 4.6500000000000004 111.088 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.651 ' HA ' ' HB2' ' A' ' 33' ' ' MET . 5.7 ppt_? -100.43 -7.59 24.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.696 0.76 . . . . 5.5 109.334 175.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -64.73 -27.6 69.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.367 -1.288 . . . . 2.3900000000000001 110.539 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.652 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 2.2 p -125.68 -0.11 7.44 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.518 -0.764 . . . . 0.76000000000000001 111.711 -175.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.651 ' HB2' ' HA ' ' A' ' 30' ' ' ARG . 23.7 ttt -51.16 -54.33 26.35 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.137 0.792 . . . . 0.91000000000000003 113.137 -171.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.534 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 62.5 m-85 -106.72 2.2 25.58 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 121.914 -0.491 . . . . 0.85999999999999999 111.941 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 15.3 p -106.61 -22.07 12.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.807 0.669 . . . . 0.25 112.807 -175.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.652 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 40.0 tttp -85.75 113.17 21.72 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.758 0.313 . . . . 1.28 110.381 -177.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.55 HD11 ' HA ' ' A' ' 89' ' ' ALA . 65.5 mt -103.13 134.29 44.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.186 -0.461 . . . . 0.20999999999999999 111.163 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -100.78 128.66 46.74 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.589 -0.522 . . . . 0.29999999999999999 109.589 173.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.416 HG13 HG22 ' A' ' 107' ' ' VAL . 7.5 t -110.66 130.42 64.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.866 -0.42 . . . . 0.25 109.866 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.02 160.78 21.31 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.939 -0.573 . . . . 0.23999999999999999 112.051 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.39 28.21 64.21 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.814 -0.708 . . . . 0.23999999999999999 112.776 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.2 mt -85.67 130.33 51.37 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.762 0.315 . . . . 0.20000000000000001 110.955 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 16.3 Cg_endo -60.41 142.9 99.21 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.877 1.718 . . . . 0.28000000000000003 110.165 172.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -62.13 -20.67 64.32 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.716 0.265 . . . . 0.54000000000000004 111.716 -172.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.46 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 19.1 p80 -81.0 -13.29 59.0 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.122 0.786 . . . . 2.3700000000000001 113.122 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.447 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 48.2 m -56.07 139.76 45.88 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.526 0.603 . . . . 0.34999999999999998 111.189 175.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.7 p -111.9 163.17 14.52 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.086 0.469 . . . . 0.26000000000000001 110.705 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.65 -36.74 62.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.556 -0.747 . . . . 0.55000000000000004 110.696 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.664 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 26.6 ttpp -68.68 -35.36 77.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 2.2400000000000002 110.281 -178.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.4 m -62.32 -39.86 94.42 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.704 0.287 . . . . 0.39000000000000001 110.544 177.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.4 mt -70.42 -42.49 71.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.647 -0.501 . . . . 0.26000000000000001 109.647 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -55.93 -55.52 31.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.255 -0.884 . . . . 0.69999999999999996 111.548 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 25.0 mm-40 -60.02 -45.37 93.02 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.443 0.534 . . . . 2.6800000000000002 112.443 -176.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -70.16 -51.61 29.88 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.891 -0.324 . . . . 0.84999999999999998 111.375 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -71.18 -27.93 63.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.483 0.92 . . . . 0.23999999999999999 113.483 -176.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -68.77 -13.92 62.7 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.766 -0.774 . . . . 1.9299999999999999 110.727 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -67.03 -11.06 55.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 2.0600000000000001 111.84 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -92.16 -15.58 27.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.6 0.238 . . . . 0.29999999999999999 110.943 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.42 -110.82 0.43 Allowed Glycine 0 C--N 1.329 0.166 0 C-N-CA 120.601 -0.809 . . . . 1.3600000000000001 112.515 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -130.83 139.95 50.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.923 0.392 . . . . 0.65000000000000002 110.924 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.465 HG12 ' SD ' ' A' ' 83' ' ' MET . 39.9 mt -110.35 140.94 27.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.114 0.483 . . . . 0.22 111.73 177.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -79.24 -51.63 9.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.234 -0.893 . . . . 1.5900000000000001 109.579 172.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -155.3 136.21 13.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.738 -1.119 . . . . 2.2999999999999998 109.888 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.13 114.51 11.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.773 -0.455 . . . . 0.17000000000000001 109.773 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.4 m -138.55 151.62 24.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.935 -0.575 . . . . 0.32000000000000001 111.992 -174.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 50.0 t -96.06 134.3 34.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.543 -1.28 . . . . 0.23000000000000001 107.543 170.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.803 HG12 ' HA2' ' A' ' 79' ' ' GLY . 43.7 mm -85.12 128.66 38.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.494 0.664 . . . . 0.17000000000000001 111.274 -168.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.641 HG22 ' HA ' ' A' ' 75' ' ' SER . 73.9 p -121.93 149.3 43.62 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 115.013 -0.994 . . . . 0.34000000000000002 108.709 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.67 126.61 28.11 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.738 -0.467 . . . . 0.64000000000000001 109.738 173.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.53 ' C ' ' HD3' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -62.75 -16.57 58.3 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.77 0.655 . . . . 5.2400000000000002 112.77 -172.618 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -87.59 -54.23 4.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.985 0.422 . . . . 1.6499999999999999 110.833 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.1 p -92.51 -15.39 27.1 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.243 0.46 . . . . 0.70999999999999996 112.243 -175.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 62.99 30.95 16.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.418 -0.81 . . . . 1.4199999999999999 110.529 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -103.99 140.5 37.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.616 -0.72 . . . . 2.2000000000000002 109.84 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.641 ' HA ' HG22 ' A' ' 68' ' ' THR . 14.6 m -59.02 131.5 51.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 1.1499999999999999 111.925 -173.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -93.45 10.53 31.96 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.0 -0.545 . . . . 2.1600000000000001 110.671 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.709 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 73.43 16.26 78.91 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.526 -0.761 . . . . 0.26000000000000001 114.869 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -149.11 165.21 32.44 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.909 -0.775 . . . . 0.46000000000000002 108.909 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.803 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -152.0 179.51 28.51 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 119.754 -1.212 . . . . 0.14000000000000001 112.962 -174.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.615 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 53.5 m-85 -134.11 139.77 46.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.847 0.832 . . . . 0.31 111.607 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.6 t -125.55 130.41 72.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 114.361 -1.291 . . . . 0.28999999999999998 109.24 170.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 m -108.2 110.64 22.32 Favored 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.795 -1.187 . . . . 0.26000000000000001 107.795 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.503 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 91.3 mmm -83.92 149.28 26.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.089 0.471 . . . . 0.42999999999999999 110.443 -175.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -76.56 -19.75 57.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.217 -0.902 . . . . 1.46 110.137 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.52 146.62 38.37 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.535 -0.757 . . . . 1.02 110.577 -178.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.534 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 59.7 ttt180 -66.49 -43.81 84.37 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.328 0.492 . . . . 2.9500000000000002 112.328 -177.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.672 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -60.42 -40.18 90.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.003 0.43 . . . . 0.27000000000000002 110.32 -176.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.5 m -62.29 -44.38 96.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.487 -0.779 . . . . 0.55000000000000004 109.73 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.55 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -63.42 -44.92 93.22 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.654 -0.703 . . . . 0.17000000000000001 110.884 178.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -69.88 -37.55 76.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.668 -0.696 . . . . 2.0800000000000001 111.659 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 28.5 mmm180 -61.01 -39.23 88.94 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.478 -0.564 . . . . 3.23 109.478 175.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.74 74.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.857 -0.61 . . . . 0.20000000000000001 111.26 175.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 60.8 m -80.8 -16.12 54.61 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.654 0.242 . . . . 0.32000000000000001 111.654 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -70.04 -32.34 70.42 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 110.155 -0.313 . . . . 2.8999999999999999 110.155 -179.24 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -101.33 89.5 1.4 Allowed Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.868 -0.79 . . . . 1.1200000000000001 108.868 171.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.499 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 56.4 Cg_endo -69.62 -15.4 37.59 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.434 2.089 . . . . 0.47999999999999998 113.904 -170.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.762 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 93.2 m-20 -131.04 63.74 71.37 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 112.492 0.553 . . . . 0.67000000000000004 112.492 -173.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -75.28 148.78 34.66 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.481 2.121 . . . . 0.47999999999999998 112.489 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.3 mm -80.21 111.81 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.852 0.358 . . . . 0.42999999999999999 110.255 175.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.9 mt -120.8 115.15 46.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.26 -0.427 . . . . 0.44 110.279 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.76 44.34 26.34 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.707 -0.679 . . . . 1.3300000000000001 111.383 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.45 6.02 89.51 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 115.395 -0.82 . . . . 0.51000000000000001 114.732 174.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.546 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 63.4 ttt180 -134.41 141.76 46.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.751 0.776 . . . . 1.97 110.494 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.537 ' HD3' ' HB3' ' A' ' 97' ' ' ASN . 23.8 ttmm -76.4 127.38 32.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.226 -0.443 . . . . 1.8700000000000001 110.061 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.762 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.59 161.34 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.76 -0.654 . . . . 0.20999999999999999 110.987 -176.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.499 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 2.0 p-10 -116.73 117.78 30.72 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.183 -0.673 . . . . 1.53 109.183 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.416 HG22 HG13 ' A' ' 39' ' ' VAL . 59.0 t -117.62 137.3 51.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.736 -0.665 . . . . 0.38 112.109 -172.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -156.28 155.94 33.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.969 -0.559 . . . . 0.60999999999999999 110.053 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.3 mt -55.51 128.25 33.58 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.786 -0.449 . . . . 0.23000000000000001 109.786 172.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.75 -34.19 77.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.023 0.749 . . . . 0.22 113.023 -168.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -63.51 -20.27 65.47 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.849 0.357 . . . . 0.44 111.237 -174.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.8 mt -70.7 -7.98 48.67 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.606 0.595 . . . . 0.44 112.606 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -148.98 12.94 1.11 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.699 -0.762 . . . . 0.38 111.685 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.38 135.78 36.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.682 0.277 . . . . 0.57999999999999996 110.834 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.492 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 99.8 mttt -76.34 136.7 68.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.184 -0.462 . . . . 2.02 110.369 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 115' ' ' LYS . 12.0 Cg_exo -70.71 176.96 6.77 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 123.094 2.529 . . . . 2.1899999999999999 112.141 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 74.18 -24.56 0.21 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.429 0.692 . . . . 6.5300000000000002 111.513 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.419 ' H ' ' C ' ' A' ' 116' ' ' PRO . 25.6 p -61.36 152.48 29.39 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.915 0.388 . . . . 4.3899999999999997 111.96 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -94.34 -174.64 3.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.942 -0.572 . . . . 6.0 110.34 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 39.7 t -119.41 -49.04 3.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 107.539 -1.282 . . . . 5.7199999999999998 107.539 167.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 . . . . . 0 C--O 1.244 0.803 0 CA-C-N 114.371 -1.286 . . . . 7.9800000000000004 108.207 168.406 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O5'-C5'-C4' 111.69 1.065 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.709 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.632 0 C3'-C2'-C1' 99.912 -1.991 . . . . 2.7999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.524 ' OP1' ' C6 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.433 -0.448 0 P-O5'-C5' 122.904 1.253 . . . . 2.0499999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C4'-C3' 103.771 -1.829 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.615 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 O4'-C1'-N19 109.473 2.091 . . . . 1.3799999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 P-O3'-C3' 120.813 0.928 . . . . 0.59999999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 O4'-C1'-C2' 106.912 0.738 . . . . 5.3300000000000001 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.552 ' HA2' ' OP1' ' B' ' 6' ' ' ' DG' . . . . . . . . 0 N--CA 1.485 1.916 0 N-CA-C 112.198 -0.361 . . . . 7.0599999999999996 112.198 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -120.9 100.66 7.21 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.651 -0.5 . . . . 4.3399999999999999 109.651 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -113.28 -63.35 1.46 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.988 -0.551 . . . . 6.9400000000000004 110.167 -176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.93 51.59 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.413 -0.899 . . . . 3.1600000000000001 111.696 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.0 m -98.02 90.56 4.94 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.106 0.479 . . . . 4.6500000000000004 111.17 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.505 ' C ' ' HD2' ' A' ' 30' ' ' ARG . 2.1 ppt_? -69.6 -15.25 63.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.403 0.621 . . . . 5.5 110.424 176.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -67.72 -28.08 67.35 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.425 -0.807 . . . . 2.3900000000000001 110.507 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.616 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 4.4 p -96.24 11.31 34.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.111 -0.95 . . . . 0.76000000000000001 112.815 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 52.7 mtp -53.16 -53.7 46.68 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.858 0.688 . . . . 0.91000000000000003 112.858 -178.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.541 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 47.8 m-85 -106.29 -5.26 19.27 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 118.229 0.468 . . . . 0.85999999999999999 111.905 -177.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.501 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 10.9 p -99.87 -23.38 14.97 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.552 -0.295 . . . . 0.25 111.766 -174.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.616 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 86.0 tttt -95.23 113.76 25.48 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.401 0.62 . . . . 1.28 110.288 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.432 HG12 HD23 ' A' ' 109' ' ' LEU . 73.8 mt -103.36 132.86 48.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.13 -0.941 . . . . 0.20999999999999999 110.534 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -97.89 123.6 41.94 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.116 -0.698 . . . . 0.29999999999999999 109.116 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.569 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.3 t -107.29 128.49 62.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.33 -0.619 . . . . 0.25 109.33 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.47 153.93 18.89 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.051 -0.595 . . . . 0.23999999999999999 112.628 -172.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.9 16.27 77.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.829 -0.701 . . . . 0.23999999999999999 112.617 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.2 mt -74.88 133.77 75.72 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 120.658 0.266 . . . . 0.20000000000000001 111.094 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 19.1 Cg_endo -60.67 146.02 97.89 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.378 2.052 . . . . 0.28000000000000003 110.94 173.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -64.59 -15.19 60.69 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.804 0.335 . . . . 0.54000000000000004 111.322 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -77.28 -22.0 52.74 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.366 -0.379 . . . . 2.3700000000000001 111.548 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.9 m -55.64 136.12 50.7 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 111.733 0.272 . . . . 0.34999999999999998 111.733 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.6 p -110.77 163.44 13.76 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.031 0.443 . . . . 0.26000000000000001 110.197 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -53.79 -32.65 53.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.762 -0.654 . . . . 0.55000000000000004 110.324 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.62 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 38.8 ttmt -68.71 -38.2 80.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.728 -0.669 . . . . 2.2400000000000002 110.774 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.8 m -62.12 -36.94 83.26 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.024 0.44 . . . . 0.39000000000000001 110.415 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.3 mt -70.77 -41.09 72.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.108 -0.497 . . . . 0.26000000000000001 110.199 176.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -55.62 -55.27 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.66 -0.7 . . . . 0.69999999999999996 111.213 176.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.62 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 14.4 mm-40 -59.53 -44.6 93.16 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.06 0.393 . . . . 2.6800000000000002 112.06 -175.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -70.77 -52.84 18.16 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.575 -0.45 . . . . 0.84999999999999998 111.459 -172.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.447 ' HB2' HD11 ' A' ' 61' ' ' ILE . 77.2 m-85 -71.72 -28.32 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.638 0.977 . . . . 0.23999999999999999 113.638 -176.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -66.34 -16.21 63.87 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.257 -0.577 . . . . 1.9299999999999999 110.562 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -67.58 -18.65 65.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 2.0600000000000001 111.292 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.408 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 77.3 m-85 -91.71 -22.58 20.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.986 0.422 . . . . 0.29999999999999999 110.517 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.518 ' HA3' ' HB3' ' A' ' 88' ' ' SER . . . 165.9 -176.19 41.36 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.441 -0.663 . . . . 1.3600000000000001 111.441 -178.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.83 136.9 47.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.091 0.472 . . . . 0.65000000000000002 110.88 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 55' ' ' PHE . 40.5 mt -105.64 134.78 46.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.689 -0.687 . . . . 0.22 110.918 178.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.464 ' HG2' ' HE2' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -80.06 -44.73 19.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.107 -0.951 . . . . 1.5900000000000001 109.537 175.685 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -158.9 136.49 10.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.364 -0.835 . . . . 2.2999999999999998 110.156 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.08 115.38 12.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.883 -0.414 . . . . 0.17000000000000001 109.883 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.4 m -138.06 151.84 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.857 0.36 . . . . 0.32000000000000001 111.648 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.06 134.82 32.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.435 -0.95 . . . . 0.23000000000000001 108.435 171.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.494 HG12 ' HA2' ' A' ' 79' ' ' GLY . 14.1 mm -83.55 128.53 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.71 0.767 . . . . 0.17000000000000001 111.869 -169.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.44 HG22 ' HA ' ' A' ' 75' ' ' SER . 46.4 p -124.27 146.42 48.78 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.289 -1.323 . . . . 0.34000000000000002 109.318 -178.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.407 ' OD1' ' HD3' ' A' ' 70' ' ' ARG . 5.7 t70 -57.3 135.56 56.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.602 0.239 . . . . 0.64000000000000001 110.624 173.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.408 ' HB3' ' OP2' ' B' ' 7' ' ' ' DC' . 0.1 OUTLIER -62.39 -24.52 67.43 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.076 0.769 . . . . 5.2400000000000002 113.076 -178.027 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -86.01 -55.55 3.89 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.651 -0.42 . . . . 1.6499999999999999 111.752 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.5 p -91.02 -14.16 31.92 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.141 0.423 . . . . 0.70999999999999996 112.141 -173.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 61.05 29.85 19.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.211 -0.904 . . . . 1.4199999999999999 110.333 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -104.12 139.84 38.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.704 -0.68 . . . . 2.2000000000000002 110.546 -177.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.44 ' HA ' HG22 ' A' ' 68' ' ' THR . 15.2 m -60.44 133.47 56.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.245 0.545 . . . . 1.1499999999999999 111.467 -175.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -97.5 18.45 15.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.864 -0.607 . . . . 2.1600000000000001 111.189 -176.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.406 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 75.47 16.7 80.47 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.956 -0.64 . . . . 0.26000000000000001 114.303 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.569 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 47.7 p90 -156.49 167.64 29.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.267 0.534 . . . . 0.46000000000000002 110.497 176.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.494 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -151.26 -177.19 24.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.14000000000000001 113.038 -175.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.464 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 47.8 m-85 -132.36 139.76 48.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.58 0.705 . . . . 0.31 111.904 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.6 t -127.16 126.61 68.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 114.401 -1.272 . . . . 0.28999999999999998 109.574 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 m -106.43 110.36 22.55 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.06 -1.089 . . . . 0.26000000000000001 108.06 175.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.483 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.4 mmm -83.48 149.41 26.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.083 0.468 . . . . 0.42999999999999999 110.001 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.464 ' HE2' ' HG2' ' A' ' 62' ' ' GLU . 12.3 ttmt -76.33 -17.11 59.58 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.624 -0.716 . . . . 1.46 110.883 -177.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.8 147.33 38.88 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.399 -0.364 . . . . 1.02 111.084 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.541 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 33.0 ttm180 -63.99 -44.33 93.0 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 112.75 0.648 . . . . 2.9500000000000002 112.75 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.661 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -64.57 -40.37 95.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.891 0.377 . . . . 0.27000000000000002 110.519 -175.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.518 ' HB3' ' HA3' ' A' ' 59' ' ' GLY . 16.1 m -62.36 -43.47 98.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.637 -0.71 . . . . 0.55000000000000004 109.977 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.483 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -63.17 -42.35 99.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.237 -0.892 . . . . 0.17000000000000001 111.572 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -69.51 -37.14 77.03 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.395 -0.366 . . . . 2.0800000000000001 111.126 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.661 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 49.4 mtp180 -59.8 -38.74 82.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.995 0.426 . . . . 3.23 110.07 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.408 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -63.21 -39.34 94.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.542 -0.754 . . . . 0.20000000000000001 111.385 174.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 61.4 m -82.28 -9.32 59.52 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.073 0.397 . . . . 0.32000000000000001 112.073 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -64.79 -35.38 80.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.665 0.269 . . . . 2.8999999999999999 111.088 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -113.46 92.67 24.14 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 108.228 -1.027 . . . . 1.1200000000000001 108.228 172.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.521 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 56.9 Cg_endo -69.72 2.55 3.41 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.225 2.616 . . . . 0.47999999999999998 114.233 -170.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.506 ' N ' ' HD3' ' A' ' 98' ' ' PRO . 87.0 m-20 -126.08 53.87 9.77 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 112.873 0.694 . . . . 0.67000000000000004 112.873 -176.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.517 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 3.4 Cg_exo -74.29 144.15 32.62 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.428 2.085 . . . . 0.47999999999999998 112.087 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.1 mm -81.64 110.96 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.839 -0.43 . . . . 0.42999999999999999 109.839 176.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.9 mt -121.57 122.98 68.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.488 -0.324 . . . . 0.44 110.927 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.9 t70 58.84 39.37 24.06 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.783 0.801 . . . . 1.3300000000000001 110.243 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.55 6.81 87.01 Favored Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.366 -0.834 . . . . 0.51000000000000001 113.723 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.438 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 52.8 ttt180 -133.09 134.27 44.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.937 0.368 . . . . 1.97 110.754 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.406 ' HD3' ' HB3' ' A' ' 97' ' ' ASN . 23.5 ttmm -67.53 123.45 20.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.983 0.421 . . . . 1.8700000000000001 110.147 177.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.58 160.15 15.9 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.305 -0.861 . . . . 0.20999999999999999 110.255 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 94.9 m-20 -111.01 115.35 29.33 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.843 -0.799 . . . . 1.53 108.843 177.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.467 HG22 HG13 ' A' ' 39' ' ' VAL . 91.1 t -114.39 128.18 71.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.05 -0.523 . . . . 0.38 111.596 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -152.73 153.55 33.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.875 -0.602 . . . . 0.60999999999999999 109.74 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.432 HD23 HG12 ' A' ' 37' ' ' ILE . 98.5 mt -56.48 130.35 44.55 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.756 -0.461 . . . . 0.23000000000000001 109.756 173.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.08 -32.11 69.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.328 0.862 . . . . 0.22 113.328 -168.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -67.85 -15.06 63.44 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.734 -0.386 . . . . 0.44 111.527 -176.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.5 mt -74.17 -8.14 55.11 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.594 0.59 . . . . 0.44 112.594 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -150.82 13.37 0.87 Allowed Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 120.182 -1.008 . . . . 0.38 112.311 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.11 145.4 32.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.873 -0.163 . . . . 0.57999999999999996 111.043 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -81.49 124.29 80.28 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.387 0.613 . . . . 2.02 110.941 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.447 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 83.3 Cg_endo -88.06 63.38 3.43 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.657 2.905 . . . . 2.1899999999999999 112.702 -178.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' A' ' 116' ' ' PRO . 22.3 mmt180 69.74 19.8 7.09 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.371 0.419 . . . . 6.5300000000000002 111.384 178.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.1 p -75.0 -59.34 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.588 -0.278 . . . . 4.3899999999999997 111.74 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -149.03 103.07 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 6.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.99 118.19 15.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 N-CA-C 109.37 -0.604 . . . . 5.7199999999999998 109.37 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.551 -0.738 . . . . 7.9800000000000004 110.418 -177.939 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.579 0 C3'-C2'-C1' 100.937 -1.26 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.406 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.596 0 N19-C1'-C2' 115.862 1.039 . . . . 2.7999999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.419 ' C2 ' ' C5 ' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C4'-C3'-C2' 101.859 -1.341 . . . . 2.0499999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.482 ' N3 ' " H2'" ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C4'-C3'-C2' 104.644 1.444 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.464 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 N19-C1'-C2' 115.476 0.797 . . . . 1.3799999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . 0.552 ' OP1' ' HA2' ' A' ' 25' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.628 0 P-O5'-C5' 122.338 0.899 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.408 ' OP2' ' HB3' ' A' ' 70' ' ' ARG . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 P-O5'-C5' 121.789 0.555 . . . . 5.3300000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.824 0 N-CA-C 111.869 -0.492 . . . . 7.0599999999999996 111.869 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.98 -1.2 57.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.745 0.307 . . . . 4.3399999999999999 111.639 -174.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.6 tpt -70.1 -6.87 36.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.147 0.499 . . . . 6.9400000000000004 111.276 -177.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.79 -24.03 76.81 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.082 -0.58 . . . . 3.1600000000000001 112.643 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.0 t -102.07 95.53 6.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.563 0.697 . . . . 4.6500000000000004 109.504 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -102.87 0.14 32.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.328 -0.851 . . . . 5.5 110.708 -178.47 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.06 -27.79 22.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.206 -0.906 . . . . 2.3900000000000001 110.877 176.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.661 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 34.9 p -97.38 -1.26 44.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.046 -0.524 . . . . 0.76000000000000001 111.058 177.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 57.9 ttm -51.66 -54.74 24.76 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.003 0.742 . . . . 0.91000000000000003 113.003 -173.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.587 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 79.5 m-85 -105.34 -0.53 26.11 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 120.765 -0.374 . . . . 0.85999999999999999 111.274 -177.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.533 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 32.3 p -104.43 -25.03 12.97 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 111.803 0.298 . . . . 0.25 111.803 -175.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.661 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 54.4 tttm -87.69 112.05 21.95 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 121.299 0.571 . . . . 1.28 110.087 -177.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.66 HD11 ' HA ' ' A' ' 89' ' ' ALA . 67.0 mt -99.6 134.75 37.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.295 -0.866 . . . . 0.20999999999999999 110.173 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -99.13 123.77 43.67 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.097 -0.705 . . . . 0.29999999999999999 109.097 172.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.499 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 6.4 t -105.73 124.51 60.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.684 -0.487 . . . . 0.25 109.684 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.71 155.9 19.82 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.826 -0.702 . . . . 0.23999999999999999 112.501 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.16 26.97 60.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.711 -0.757 . . . . 0.23999999999999999 112.56 177.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.463 HD11 HD21 ' A' ' 51' ' ' LEU . 87.0 mt -84.64 142.98 40.29 Favored Pre-proline 0 C--N 1.323 -0.568 0 C-N-CA 122.214 0.206 . . . . 0.20000000000000001 110.501 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.527 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 18.8 Cg_endo -62.22 141.1 86.77 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.972 1.781 . . . . 0.28000000000000003 110.068 171.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -59.62 -30.19 68.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.492 0.553 . . . . 0.54000000000000004 112.492 -171.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.455 ' HD2' ' HB2' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -76.83 -10.16 59.18 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.166 0.432 . . . . 2.3700000000000001 112.166 -177.241 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.527 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 51.7 m -56.99 136.18 56.25 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.0 0.428 . . . . 0.34999999999999998 111.441 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.0 p -111.58 166.47 11.12 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.98 -0.555 . . . . 0.26000000000000001 110.928 -176.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -53.29 -36.13 60.85 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.606 -0.725 . . . . 0.55000000000000004 110.305 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.453 ' HB2' ' NZ ' ' A' ' 49' ' ' LYS . 4.0 ttmp? -60.58 -42.76 97.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.341 -0.845 . . . . 2.2400000000000002 110.855 178.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.454 ' HB ' HG23 ' A' ' 46' ' ' THR . 17.2 m -61.45 -41.44 97.22 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.838 0.351 . . . . 0.39000000000000001 110.711 -178.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.463 HD21 HD11 ' A' ' 42' ' ' LEU . 26.2 mt -71.31 -41.9 69.31 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.222 -0.445 . . . . 0.26000000000000001 110.484 177.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -56.26 -55.65 30.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.506 -0.77 . . . . 0.69999999999999996 110.702 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.17 -45.68 90.39 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.508 0.559 . . . . 2.6800000000000002 112.508 -177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -69.41 -53.35 19.81 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.541 -0.464 . . . . 0.84999999999999998 111.93 -172.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.504 ' HB2' HD11 ' A' ' 61' ' ' ILE . 69.0 m-85 -72.9 -28.36 62.42 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.807 1.04 . . . . 0.23999999999999999 113.807 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.506 ' HB3' HD12 ' A' ' 61' ' ' ILE . 15.9 pt-20 -70.0 -15.92 63.09 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.129 -0.628 . . . . 1.9299999999999999 110.927 -175.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -70.47 -7.63 44.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.482 -0.326 . . . . 2.0600000000000001 111.351 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -91.28 -15.06 29.77 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.872 0.368 . . . . 0.29999999999999999 110.507 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.11 -111.36 0.44 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.916 -0.659 . . . . 1.3600000000000001 112.615 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -127.07 123.76 37.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.736 0.303 . . . . 0.65000000000000002 111.171 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.506 HD12 ' HB3' ' A' ' 56' ' ' GLU . 25.5 mt -94.84 133.6 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.069 0.462 . . . . 0.22 111.248 174.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -88.59 -37.94 15.26 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.665 -0.698 . . . . 1.5900000000000001 110.268 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -159.33 134.31 8.14 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.155 -0.683 . . . . 2.2999999999999998 109.155 177.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.02 115.63 11.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.949 0.34 . . . . 0.17000000000000001 111.113 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.76 149.03 23.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.151 0.5 . . . . 0.32000000000000001 112.257 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.467 HG21 HG22 ' A' ' 46' ' ' THR . 99.0 t -91.02 135.15 27.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 107.861 -1.162 . . . . 0.23000000000000001 107.861 171.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.909 HG12 ' HA2' ' A' ' 79' ' ' GLY . 24.9 mm -84.02 126.5 40.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.262 0.553 . . . . 0.17000000000000001 111.073 -168.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.8 p -119.11 145.8 45.65 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.02 -0.991 . . . . 0.34000000000000002 108.804 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.408 ' HB3' ' OG1' ' A' ' 72' ' ' THR . 20.5 t70 -57.77 137.88 56.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.219 0.533 . . . . 0.64000000000000001 111.879 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -57.71 -33.76 68.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.139 -0.937 . . . . 5.2400000000000002 112.908 -176.508 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -97.24 -16.4 20.38 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.744 1.016 . . . . 1.6499999999999999 113.744 -173.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.408 ' OG1' ' HB3' ' A' ' 69' ' ' ASP . 33.0 p -123.28 -24.22 4.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.425 0.631 . . . . 0.70999999999999996 111.023 -173.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 64.78 29.4 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.402 -1.272 . . . . 1.4199999999999999 109.878 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -93.75 134.16 36.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.948 -1.024 . . . . 2.2000000000000002 109.701 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.5 m -60.27 134.37 56.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.177 0.513 . . . . 1.1499999999999999 110.856 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.4 mtp85 -91.89 11.08 26.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.511 0.672 . . . . 2.1600000000000001 109.949 -177.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.998 ' HA3' ' H22' ' B' ' 2' ' ' ' DG' . . . 74.42 17.91 79.84 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.984 -1.007 . . . . 0.26000000000000001 112.88 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.499 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 26.4 p90 -154.89 167.39 30.46 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.361 -0.607 . . . . 0.46000000000000002 109.361 177.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.909 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -157.82 -171.51 23.87 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.297 -0.954 . . . . 0.14000000000000001 112.693 -176.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.61 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 55.0 m-85 -133.18 138.85 46.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.918 0.866 . . . . 0.31 111.671 -178.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.4 t -123.32 124.74 70.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-N 113.908 -1.497 . . . . 0.28999999999999998 109.345 174.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.6 m -106.32 107.69 18.83 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.19 -1.041 . . . . 0.26000000000000001 108.19 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.524 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.2 mmm -85.59 140.61 30.47 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.9 -0.408 . . . . 0.42999999999999999 109.9 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -68.42 -17.59 64.25 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.535 -0.757 . . . . 1.46 110.613 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -141.37 148.36 39.52 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-O 120.843 0.354 . . . . 1.02 110.627 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.587 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 52.8 ttt180 -63.36 -42.98 98.93 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.912 -0.585 . . . . 2.9500000000000002 111.961 -177.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -61.96 -40.37 95.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.905 0.383 . . . . 0.27000000000000002 110.649 -172.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.3 m -64.54 -43.94 92.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.925 -0.579 . . . . 0.55000000000000004 110.153 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.66 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -62.99 -44.72 95.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.823 -0.626 . . . . 0.17000000000000001 111.363 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.418 ' HG2' ' NZ ' ' A' ' 94' ' ' LYS . 45.6 tt0 -69.94 -34.81 73.93 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.965 -0.562 . . . . 2.0800000000000001 111.913 -175.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 16.3 mtm180 -60.87 -39.69 90.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.938 -0.764 . . . . 3.23 108.938 175.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.89 98.48 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.476 -0.784 . . . . 0.20000000000000001 111.381 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.9 m -82.31 -11.75 58.43 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.404 0.52 . . . . 0.32000000000000001 112.404 -176.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -68.15 -31.74 71.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.778 0.323 . . . . 2.8999999999999999 110.175 -176.626 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -105.07 111.23 65.19 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.034 -0.728 . . . . 1.1200000000000001 109.034 172.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.622 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.0 Cg_endo -70.57 -13.47 32.65 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.434 2.09 . . . . 0.47999999999999998 114.462 -175.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.571 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 86.2 m-20 -134.36 64.21 63.81 Favored Pre-proline 0 N--CA 1.466 0.356 0 N-CA-C 112.965 0.728 . . . . 0.67000000000000004 112.965 -173.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 8.4 Cg_exo -73.99 145.18 35.3 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.594 2.196 . . . . 0.47999999999999998 111.43 171.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.3 mm -83.67 111.83 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.109 -0.33 . . . . 0.42999999999999999 110.109 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.4 mt -124.56 132.9 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.132 -0.486 . . . . 0.44 110.362 -178.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 t0 58.43 33.06 22.8 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.46 0.648 . . . . 1.3300000000000001 110.113 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.39 12.78 80.09 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 116.034 -0.53 . . . . 0.51000000000000001 113.138 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -134.23 141.08 46.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.979 0.418 . . . . 1.97 111.622 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' A' ' 104' ' ' LYS . 37.6 ttmt -66.76 119.54 12.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.879 0.371 . . . . 1.8700000000000001 110.524 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.571 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.53 159.38 16.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.047 -0.524 . . . . 0.20999999999999999 110.605 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.622 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 32.1 t-20 -113.07 116.34 29.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.214 -0.661 . . . . 1.53 109.214 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 38.4 t -111.6 140.94 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.107 0.479 . . . . 0.38 111.947 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -160.16 147.9 16.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.737 -0.665 . . . . 0.60999999999999999 109.484 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.9 mt -55.72 127.56 30.59 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.802 -0.444 . . . . 0.23000000000000001 109.802 171.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.61 -31.53 72.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.291 0.849 . . . . 0.22 113.291 -168.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -69.02 -17.83 63.96 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.444 -0.502 . . . . 0.44 110.857 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 81.2 mt -71.64 -7.9 50.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.924 -0.58 . . . . 0.44 112.182 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.17 13.36 1.09 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.373 -0.918 . . . . 0.38 112.449 -175.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.38 123.22 28.37 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.761 -0.376 . . . . 0.57999999999999996 110.546 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -84.37 146.39 47.48 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.165 -0.47 . . . . 2.02 111.034 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -74.45 31.98 0.35 Allowed 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 123.002 2.468 . . . . 2.1899999999999999 113.308 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.433 ' HD3' ' C ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -98.46 -53.65 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.27 -1.011 . . . . 6.5300000000000002 108.27 178.745 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.6 t -89.88 122.17 32.67 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.365 -0.834 . . . . 4.3899999999999997 109.422 174.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -104.56 21.25 17.11 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.216 -0.447 . . . . 6.0 110.516 -177.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.7 t 74.88 -54.39 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 115.753 -0.658 . . . . 5.7199999999999998 111.204 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.693 -0.67 . . . . 7.9800000000000004 109.913 -178.912 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.557 0 O5'-C5'-C4' 111.852 1.18 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.998 ' H22' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.63 0 C3'-C2'-C1' 100.832 -1.334 . . . . 2.7999999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 C3'-C2'-C1' 101.416 -0.917 . . . . 2.0499999999999998 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.588 ' N3 ' " H2'" ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 C4'-C3'-C2' 104.34 1.14 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.61 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.431 -0.553 0 O4'-C1'-N19 109.25 1.812 . . . . 1.3799999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . 0.468 ' N7 ' ' HE2' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C5'-C4'-C3' 115.676 0.651 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C4'-C3' 104.384 -1.216 . . . . 5.3300000000000001 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 N-CA-C 111.836 -0.506 . . . . 7.0599999999999996 111.836 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.25 -43.47 28.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.009 0.433 . . . . 4.3399999999999999 110.201 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.3 ptm -131.21 168.7 17.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.624 -0.716 . . . . 6.9400000000000004 109.709 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.86 -17.04 71.02 Favored Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 121.268 -0.492 . . . . 3.1600000000000001 113.255 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.4 m -80.91 96.64 7.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.148 0.499 . . . . 4.6500000000000004 110.207 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.833 ' HD3' ' H ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -103.98 -7.66 20.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.732 -0.667 . . . . 5.5 110.562 -179.44 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -64.94 -21.63 66.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.663 -0.699 . . . . 2.3900000000000001 110.784 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -99.59 -2.43 35.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.779 -0.646 . . . . 0.76000000000000001 111.807 -178.052 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 76.3 mtp -56.5 -49.82 73.59 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.764 0.653 . . . . 0.91000000000000003 112.764 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -104.72 -0.13 27.72 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.969 -0.457 . . . . 0.85999999999999999 111.156 -173.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.8 p -109.97 -21.73 12.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.855 0.359 . . . . 0.25 111.881 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.502 ' HB2' HG22 ' A' ' 32' ' ' THR . 81.8 tttt -92.67 117.61 30.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 1.28 110.054 -175.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.593 HD11 ' HA ' ' A' ' 89' ' ' ALA . 63.3 mt -102.06 133.83 44.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.903 -0.59 . . . . 0.20999999999999999 110.365 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -98.6 124.09 43.17 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.35 -0.981 . . . . 0.29999999999999999 108.35 171.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.2 t -109.73 130.98 61.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.378 -0.601 . . . . 0.25 109.378 -177.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.23 165.25 20.47 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.086 -0.578 . . . . 0.23999999999999999 111.697 -173.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.99 10.18 67.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.565 -0.826 . . . . 0.23999999999999999 112.959 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.4 132.25 94.3 Favored Pre-proline 0 C--N 1.326 -0.425 0 C-N-CA 122.249 0.22 . . . . 0.20000000000000001 110.629 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.674 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 18.2 Cg_endo -59.71 143.23 99.68 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.086 1.857 . . . . 0.28000000000000003 109.79 174.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -62.32 -14.19 36.78 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.033 0.383 . . . . 0.54000000000000004 112.033 -173.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -75.07 -22.15 58.51 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 121.125 -0.23 . . . . 2.3700000000000001 111.3 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.6 m -54.65 130.72 41.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.816 0.341 . . . . 0.34999999999999998 111.571 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.8 p -111.91 165.38 12.14 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.306 -0.406 . . . . 0.26000000000000001 110.326 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -54.0 -35.35 61.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.705 -0.68 . . . . 0.55000000000000004 110.653 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.764 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 18.1 ttmm -65.5 -42.18 92.39 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.655 -0.702 . . . . 2.2400000000000002 110.616 177.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.1 m -61.61 -39.06 89.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.348 . . . . 0.39000000000000001 111.051 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.0 mt -70.9 -43.4 68.39 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.742 -0.466 . . . . 0.26000000000000001 109.742 177.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.451 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 52.7 t-80 -56.05 -56.29 22.61 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.601 -0.727 . . . . 0.69999999999999996 110.818 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.764 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 3.6 mm-40 -59.61 -39.94 85.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.748 0.277 . . . . 2.6800000000000002 111.748 -175.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -70.53 -55.49 8.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.992 0.425 . . . . 0.84999999999999998 111.676 -174.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.667 ' HB2' HD11 ' A' ' 61' ' ' ILE . 82.5 m-85 -74.34 -27.33 60.63 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.743 1.016 . . . . 0.23999999999999999 113.743 -176.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.472 ' HG2' ' HB ' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -61.16 -24.48 66.32 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.07 0.462 . . . . 1.9299999999999999 111.453 -177.537 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -72.29 -7.61 50.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.972 -0.558 . . . . 2.0600000000000001 111.993 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 82.9 m-85 -91.62 -31.67 15.78 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.421 0.526 . . . . 0.29999999999999999 112.421 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.837 ' HA3' ' HB3' ' A' ' 88' ' ' SER . . . 155.99 60.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 119.033 -1.556 . . . . 1.3600000000000001 114.273 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.429 ' HB3' ' HE3' ' A' ' 84' ' ' LYS . 2.8 m-20 72.82 123.17 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 124.309 1.044 . . . . 0.65000000000000002 113.382 171.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.667 HD11 ' HB2' ' A' ' 55' ' ' PHE . 13.7 mt -101.11 136.85 30.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.147 -0.933 . . . . 0.22 112.059 172.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.518 ' OE1' ' HE2' ' A' ' 84' ' ' LYS . 13.8 mm-40 -80.87 -48.98 11.62 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.515 -1.221 . . . . 1.5900000000000001 109.958 170.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -154.54 139.13 16.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.006 -0.997 . . . . 2.2999999999999998 110.555 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.472 ' HB2' HD13 ' A' ' 61' ' ' ILE . . . -137.36 114.62 10.9 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.188 -0.301 . . . . 0.17000000000000001 110.188 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.6 m -139.04 149.24 23.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.88 0.372 . . . . 0.32000000000000001 111.578 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.8 t -91.92 134.02 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.462 -0.94 . . . . 0.23000000000000001 108.462 170.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.847 HG12 ' HA2' ' A' ' 79' ' ' GLY . 29.9 mm -83.19 125.53 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 CA-C-O 121.662 0.744 . . . . 0.17000000000000001 111.071 -170.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 75' ' ' SER . 37.9 p -123.71 148.0 46.95 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 114.601 -1.181 . . . . 0.34000000000000002 108.838 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.418 ' OD2' ' HB2' ' A' ' 71' ' ' ASN . 4.7 t70 -57.52 136.41 56.71 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.843 -0.343 . . . . 0.64000000000000001 110.394 173.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.553 ' HD3' " H5'" ' B' ' 7' ' ' ' DC' . 5.3 mtm180 -57.61 -39.2 76.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.05 0.453 . . . . 5.2400000000000002 111.167 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.418 ' HB2' ' OD2' ' A' ' 69' ' ' ASP . 52.6 m-80 -75.02 -58.68 3.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 1.6499999999999999 112.012 -172.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.3 p -92.39 -21.72 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.151 0.426 . . . . 0.70999999999999996 112.151 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 64.9 mt-30 67.89 27.89 7.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.367 -0.833 . . . . 1.4199999999999999 110.183 177.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -87.67 135.51 33.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.985 -1.007 . . . . 2.2000000000000002 109.468 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.513 ' HA ' HG22 ' A' ' 68' ' ' THR . 11.0 p -58.54 129.75 43.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.243 0.544 . . . . 1.1499999999999999 111.079 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -90.8 11.53 22.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.862 -0.608 . . . . 2.1600000000000001 110.424 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.738 ' HA3' ' H22' ' B' ' 2' ' ' ' DG' . . . 74.3 18.27 79.81 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.457 -0.792 . . . . 0.26000000000000001 113.735 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.578 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 47.9 p90 -157.38 168.56 27.0 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.745 -0.465 . . . . 0.46000000000000002 109.745 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.847 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -159.28 -171.7 25.44 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.339 -0.934 . . . . 0.14000000000000001 112.629 -175.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.61 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 55.4 m-85 -131.27 139.24 49.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.563 0.697 . . . . 0.31 112.028 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.6 t -125.59 127.33 71.53 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 114.612 -1.176 . . . . 0.28999999999999998 109.027 167.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.8 m -104.47 110.18 22.35 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 107.554 -1.276 . . . . 0.26000000000000001 107.554 173.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.549 ' CE ' ' HB2' ' A' ' 88' ' ' SER . 97.7 mmm -84.53 153.7 23.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.105 0.479 . . . . 0.42999999999999999 109.854 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.518 ' HE2' ' OE1' ' A' ' 62' ' ' GLU . 26.4 ttmt -73.69 -17.95 61.07 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.165 -0.925 . . . . 1.46 110.636 -176.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -145.27 154.22 42.13 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.994 -0.548 . . . . 1.02 110.433 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -65.17 -42.54 93.57 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.705 -0.68 . . . . 2.9500000000000002 111.826 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.741 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -66.83 -39.92 87.81 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.28 -0.168 . . . . 0.27000000000000002 111.179 -175.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.837 ' HB3' ' HA3' ' A' ' 59' ' ' GLY . 1.4 p -61.83 -44.01 97.69 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.356 0.598 . . . . 0.55000000000000004 109.785 177.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.593 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -62.19 -41.56 98.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.07 -0.968 . . . . 0.17000000000000001 110.917 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -70.73 -38.77 73.61 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 112.571 0.582 . . . . 2.0800000000000001 112.571 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.741 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 90.1 mtt180 -61.7 -36.25 80.36 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 119.811 -0.756 . . . . 3.23 109.091 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -64.9 -37.63 88.27 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.067 -0.969 . . . . 0.20000000000000001 111.551 172.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 78.5 m -80.01 -11.65 59.77 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.559 0.219 . . . . 0.32000000000000001 111.521 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HA ' ' HD2' ' A' ' 94' ' ' LYS . 24.1 tptp -71.23 -26.47 62.94 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.677 -0.409 . . . . 2.8999999999999999 110.404 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -103.26 89.73 2.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 108.011 -1.107 . . . . 1.1200000000000001 108.011 168.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.422 ' C ' ' HD3' ' A' ' 98' ' ' PRO . 58.1 Cg_endo -70.03 -14.39 35.16 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.733 2.288 . . . . 0.47999999999999998 113.283 -171.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.614 ' ND2' ' HD3' ' A' ' 104' ' ' LYS . 11.0 m-20 -128.87 59.87 46.35 Favored Pre-proline 0 C--O 1.237 0.447 0 N-CA-C 111.754 0.279 . . . . 0.67000000000000004 111.754 -175.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.422 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 5.3 Cg_exo -73.1 146.12 40.59 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.587 2.192 . . . . 0.47999999999999998 112.205 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.5 mm -84.79 110.98 19.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.097 0.475 . . . . 0.42999999999999999 110.409 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.5 mt -121.98 119.87 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.727 -0.669 . . . . 0.44 110.012 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.47 ' HB3' ' CG ' ' A' ' 43' ' ' PRO . 22.2 t70 59.67 34.95 22.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.808 0.813 . . . . 1.3300000000000001 110.516 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.4 0.31 86.53 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.592 -0.731 . . . . 0.51000000000000001 113.672 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.674 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 17.9 tpt180 -116.05 137.59 51.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.057 0.428 . . . . 1.97 110.331 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.614 ' HD3' ' ND2' ' A' ' 97' ' ' ASN . 24.2 ttmm -71.43 119.34 15.44 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.641 -0.503 . . . . 1.8700000000000001 109.641 173.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.03 159.78 16.04 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.212 -0.449 . . . . 0.20999999999999999 110.999 -176.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -104.04 135.03 46.31 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.415 -0.811 . . . . 1.53 109.471 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 61.6 t -132.15 127.22 57.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.219 -0.446 . . . . 0.38 111.139 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -159.28 148.22 18.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.881 -0.6 . . . . 0.60999999999999999 109.87 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.8 mt -56.11 127.35 30.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.12 -0.696 . . . . 0.23000000000000001 109.12 172.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.72 -35.39 68.49 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.906 0.706 . . . . 0.22 112.906 -170.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.36 -19.15 65.39 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.77 -0.372 . . . . 0.44 111.206 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.5 mt -72.52 -7.85 52.13 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 112.236 0.458 . . . . 0.44 112.236 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.12 13.56 2.34 Favored Glycine 0 C--N 1.322 -0.231 0 N-CA-C 111.144 -0.782 . . . . 0.38 111.144 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.14 147.43 32.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.435 -0.383 . . . . 0.57999999999999996 110.548 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 35.5 mmtp -78.13 133.73 64.46 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.539 -0.301 . . . . 2.02 110.969 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 115' ' ' LYS . 3.3 Cg_exo -75.29 170.56 20.06 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.098 2.532 . . . . 2.1899999999999999 111.078 173.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 61.81 25.19 15.12 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.442 0.297 . . . . 6.5300000000000002 111.313 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.5 149.75 31.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.938 0.399 . . . . 4.3899999999999997 111.525 -177.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -92.48 169.08 10.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.088 -0.506 . . . . 6.0 110.651 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 40.9 t -84.92 143.7 11.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.051 -0.522 . . . . 5.7199999999999998 110.277 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.768 -0.634 . . . . 7.9800000000000004 109.446 175.781 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.624 0 O5'-C5'-C4' 111.288 0.777 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.738 ' H22' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 C3'-C2'-C1' 100.641 -1.471 . . . . 2.7999999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.615 0 C3'-C2'-C1' 99.935 -1.975 . . . . 2.0499999999999998 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 C1'-O4'-C4' 106.761 -2.1 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.61 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 N19-C1'-C2' 116.164 1.227 . . . . 1.3799999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . 0.469 ' O6 ' ' HE3' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.432 -0.52 0 O4'-C4'-C3' 106.282 0.682 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.553 " H5'" ' HD3' ' A' ' 70' ' ' ARG . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 P-O3'-C3' 120.654 0.795 . . . . 5.3300000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.777 0 CA-C-O 119.98 -0.345 . . . . 7.0599999999999996 112.701 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 27' ' ' MET . . . 73.44 -50.24 0.69 Allowed 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.027 1.121 . . . . 4.3399999999999999 114.027 170.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.554 ' HB2' ' O ' ' A' ' 26' ' ' ALA . 60.3 mtt 81.0 165.81 0.16 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.891 0.877 . . . . 6.9400000000000004 110.582 -172.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.02 -164.46 19.58 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 111.543 -0.623 . . . . 3.1600000000000001 111.543 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.3 t -158.24 127.57 5.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.893 0.347 . . . . 4.6500000000000004 110.77 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -152.66 144.99 23.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.735 -0.666 . . . . 5.5 109.629 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.76 -9.61 15.42 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.564 0.697 . . . . 2.3900000000000001 111.167 -177.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.497 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 0.0 OUTLIER -96.62 0.33 49.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.528 -0.76 . . . . 0.76000000000000001 111.242 -176.465 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.3 ttt -53.62 -51.49 62.91 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.316 0.487 . . . . 0.91000000000000003 112.316 -177.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -105.33 0.75 27.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.826 0.346 . . . . 0.85999999999999999 111.709 -174.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.497 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 10.7 p -108.13 -17.27 14.07 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.95 0.405 . . . . 0.25 111.426 -176.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.533 ' HE3' ' O6 ' ' B' ' 6' ' ' ' DG' . 84.5 tttt -89.34 113.87 25.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.088 -0.505 . . . . 1.28 110.239 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.658 HD11 ' HA ' ' A' ' 89' ' ' ALA . 57.6 mt -100.61 134.64 39.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.632 -0.713 . . . . 0.20999999999999999 110.721 -178.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -100.43 123.62 44.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.523 -0.547 . . . . 0.29999999999999999 109.523 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.592 HG13 HG22 ' A' ' 107' ' ' VAL . 5.2 t -106.22 125.83 61.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.945 -0.391 . . . . 0.25 109.945 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.4 157.46 20.84 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.168 -0.539 . . . . 0.23999999999999999 112.212 -173.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.51 ' O ' ' HD3' ' A' ' 103' ' ' ARG . . . 84.49 5.51 86.82 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.719 -0.753 . . . . 0.23999999999999999 112.639 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.93 130.04 93.97 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 122.315 0.246 . . . . 0.20000000000000001 111.201 -177.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 9.9 Cg_endo -57.08 143.37 93.14 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.21 1.94 . . . . 0.28000000000000003 109.91 170.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -59.93 -28.35 67.53 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.193 0.442 . . . . 0.54000000000000004 112.193 -172.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.405 ' CE1' ' OD1' ' A' ' 101' ' ' ASP . 14.3 p-80 -81.12 -8.3 59.74 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.723 0.638 . . . . 2.3700000000000001 112.723 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.429 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 49.9 m -56.13 138.63 49.42 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.86 0.362 . . . . 0.34999999999999998 111.165 173.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.5 p -110.71 161.76 15.44 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 121.22 0.533 . . . . 0.26000000000000001 111.256 -176.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -53.8 -34.26 58.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.413 -0.812 . . . . 0.55000000000000004 110.72 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -67.28 -36.22 81.1 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 116.21 -0.45 . . . . 2.2400000000000002 110.805 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.421 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 22.1 m -65.37 -39.14 91.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.703 0.287 . . . . 0.39000000000000001 111.174 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.41 HD22 ' HE1' ' A' ' 55' ' ' PHE . 25.1 mt -70.41 -42.82 71.13 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.095 -0.642 . . . . 0.26000000000000001 109.765 177.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -55.81 -56.51 19.71 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.687 -0.688 . . . . 0.69999999999999996 110.656 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HA ' ' OE2' ' A' ' 56' ' ' GLU . 9.3 pt-20 -60.29 -41.99 94.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.889 0.7 . . . . 2.6800000000000002 112.889 -174.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -69.78 -52.91 21.1 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.382 -0.372 . . . . 0.84999999999999998 110.857 -175.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.426 ' HB2' HD11 ' A' ' 61' ' ' ILE . 71.3 m-85 -74.56 -27.66 60.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.614 0.968 . . . . 0.23999999999999999 113.614 -177.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.428 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 11.1 pt-20 -64.53 -21.29 66.65 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.009 0.433 . . . . 1.9299999999999999 110.945 -175.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -72.26 -7.75 51.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.233 -0.439 . . . . 2.0600000000000001 111.181 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -91.62 1.44 57.15 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.63 -0.259 . . . . 0.29999999999999999 111.553 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.92 -120.16 1.23 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.159 -1.019 . . . . 1.3600000000000001 113.003 -175.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -126.97 128.98 47.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.65 0.262 . . . . 0.65000000000000002 110.727 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.465 HG12 ' SD ' ' A' ' 83' ' ' MET . 31.6 mt -100.83 139.92 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.216 0.532 . . . . 0.22 111.883 176.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -88.04 -46.23 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.132 -0.94 . . . . 1.5900000000000001 110.073 172.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.594 ' HG2' ' H22' ' B' ' 6' ' ' ' DG' . 3.7 tp10 -145.69 134.82 22.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.976 -0.557 . . . . 2.2999999999999998 109.603 -178.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.46 113.18 10.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 118.193 0.452 . . . . 0.17000000000000001 110.08 173.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 m -140.06 150.56 21.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.063 0.458 . . . . 0.32000000000000001 112.038 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.8 t -95.27 134.21 33.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 107.226 -1.398 . . . . 0.23000000000000001 107.226 168.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.874 HG12 ' HA2' ' A' ' 79' ' ' GLY . 21.5 mm -82.45 128.42 38.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.248 0.547 . . . . 0.17000000000000001 111.438 -167.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.444 HG22 ' HA ' ' A' ' 75' ' ' SER . 38.8 p -124.87 145.69 49.67 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.013 -0.994 . . . . 0.34000000000000002 108.933 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 73' ' ' GLN . 25.9 t70 -59.01 138.23 57.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.002 0.371 . . . . 0.64000000000000001 112.002 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.462 ' HB3' ' OP1' ' B' ' 7' ' ' ' DC' . 0.2 OUTLIER -60.31 -27.88 67.68 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.761 1.023 . . . . 5.2400000000000002 113.761 -177.04 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -97.71 -50.52 4.43 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.55 0.574 . . . . 1.6499999999999999 112.55 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.1 p -89.69 -16.47 30.34 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.25 0.548 . . . . 0.70999999999999996 111.111 -175.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 87.9 mt-30 62.08 29.46 17.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.768 -1.106 . . . . 1.4199999999999999 110.648 175.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -92.81 133.37 36.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.793 -0.64 . . . . 2.2000000000000002 110.401 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.444 ' HA ' HG22 ' A' ' 68' ' ' THR . 3.8 m -59.19 128.02 35.06 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 123.476 0.485 . . . . 1.1499999999999999 110.365 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.586 ' HD2' HG22 ' A' ' 67' ' ' ILE . 78.1 mtt180 -89.72 12.98 15.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.711 -0.677 . . . . 2.1600000000000001 111.398 -171.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.513 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 74.25 11.17 82.1 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.695 -0.764 . . . . 0.26000000000000001 113.501 -178.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 35.1 p90 -152.32 167.11 29.74 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.758 -0.46 . . . . 0.46000000000000002 109.758 178.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.874 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -154.75 -176.53 27.1 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.414 -0.898 . . . . 0.14000000000000001 112.794 -175.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.434 ' HD1' HD11 ' A' ' 67' ' ' ILE . 53.0 m-85 -133.83 138.92 45.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.93 0.872 . . . . 0.31 112.238 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.2 t -128.73 126.64 65.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 114.156 -1.384 . . . . 0.28999999999999998 109.662 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.4 m -104.54 110.21 22.41 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.748 -0.834 . . . . 0.26000000000000001 108.748 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.596 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.5 mmm -84.36 140.21 31.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.336 0.589 . . . . 0.42999999999999999 109.918 -178.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.427 ' HB2' ' HE3' ' A' ' 84' ' ' LYS . 32.5 ttmt -68.78 -16.45 63.8 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.939 -1.028 . . . . 1.46 110.609 -179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.8 146.42 39.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.067 -0.515 . . . . 1.02 110.459 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -67.0 -42.45 84.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.934 -0.575 . . . . 2.9500000000000002 112.417 -176.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.649 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -62.45 -41.03 98.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.809 0.337 . . . . 0.27000000000000002 110.379 -176.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -62.4 -43.73 98.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.832 -0.622 . . . . 0.55000000000000004 109.845 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.658 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -62.19 -41.52 98.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.338 -0.846 . . . . 0.17000000000000001 110.959 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -69.68 -39.07 77.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.921 -0.581 . . . . 2.0800000000000001 111.376 -176.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.649 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 21.2 mmm180 -60.66 -39.26 87.71 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.848 -0.427 . . . . 3.23 109.848 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.58 94.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.609 -0.723 . . . . 0.20000000000000001 111.295 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.8 m -82.13 -14.81 55.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.535 . . . . 0.32000000000000001 112.215 -176.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 94' ' ' LYS . 42.6 tptt -70.81 -31.79 68.64 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.007 -0.277 . . . . 2.8999999999999999 111.259 -172.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -109.23 88.18 5.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 108.032 -1.099 . . . . 1.1200000000000001 108.032 169.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.566 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 58.0 Cg_endo -69.72 0.9 4.95 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 123.499 2.799 . . . . 0.47999999999999998 114.28 -168.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 89.8 m-20 -125.59 57.62 18.62 Favored Pre-proline 0 CA--C 1.535 0.384 0 N-CA-C 112.339 0.496 . . . . 0.67000000000000004 112.339 -177.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.512 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 3.4 Cg_exo -74.85 144.67 31.1 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.449 2.099 . . . . 0.47999999999999998 111.887 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.2 mm -82.18 109.41 16.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.113 -0.699 . . . . 0.42999999999999999 109.113 173.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.1 mt -123.89 121.58 62.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.684 -0.689 . . . . 0.44 110.221 -177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.405 ' OD1' ' CE1' ' A' ' 45' ' ' HIS . 26.5 t0 59.79 37.98 21.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.914 0.864 . . . . 1.3300000000000001 110.26 176.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.94 11.92 85.09 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 114.851 -1.068 . . . . 0.51000000000000001 114.189 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.51 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 60.9 ttt180 -133.81 149.87 51.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.416 0.608 . . . . 1.97 110.474 176.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -77.99 121.76 24.64 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.54 -0.541 . . . . 1.8700000000000001 109.54 174.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.521 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.13 159.34 16.39 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.771 -0.649 . . . . 0.20999999999999999 110.623 -176.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.566 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 77.9 m-20 -114.84 115.6 27.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.144 -0.687 . . . . 1.53 109.144 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.592 HG22 HG13 ' A' ' 39' ' ' VAL . 57.2 t -120.26 138.28 51.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.956 0.407 . . . . 0.38 111.833 -174.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -158.77 159.7 35.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.914 -0.585 . . . . 0.60999999999999999 110.188 174.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 98.4 mt -55.77 132.23 48.78 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.85 0.357 . . . . 0.23000000000000001 110.066 173.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.89 -33.12 75.0 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.25 0.833 . . . . 0.22 113.25 -167.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -68.08 -12.11 60.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.851 0.358 . . . . 0.44 111.243 -175.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.4 mt -74.87 -8.1 55.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.44 112.126 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -153.35 13.51 0.61 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.401 -0.904 . . . . 0.38 112.051 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -75.49 145.64 41.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.99 0.424 . . . . 0.57999999999999996 111.707 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 23.8 mttp -81.4 148.42 62.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.948 -0.569 . . . . 2.02 110.715 177.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 115' ' ' LYS . 37.3 Cg_exo -64.4 -147.64 0.02 OUTLIER 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 124.004 3.136 . . . . 2.1899999999999999 114.06 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -92.35 85.58 5.43 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 121.195 0.521 . . . . 6.5300000000000002 109.749 -170.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.0 t -155.7 -47.52 0.08 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.772 -0.649 . . . . 4.3899999999999997 110.39 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -106.66 2.26 25.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.245 0.545 . . . . 6.0 109.942 175.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 22.8 t -115.91 80.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.962 -0.755 . . . . 5.7199999999999998 108.962 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 . . . . . 0 C--O 1.252 1.208 0 CA-C-N 115.432 -0.804 . . . . 7.9800000000000004 110.076 -174.754 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.605 0 O5'-C5'-C4' 111.365 0.832 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.513 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.432 -0.476 0 C3'-C2'-C1' 99.808 -2.065 . . . . 2.7999999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.735 " H1'" " O4'" ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.433 -0.461 0 O5'-C5'-C4' 112.465 1.618 . . . . 2.0499999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.735 " O4'" " H1'" ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 O4'-C1'-C2' 104.489 -1.464 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 C3'-C2'-C1' 100.494 -1.576 . . . . 1.3799999999999999 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . 0.594 ' H22' ' HG2' ' A' ' 63' ' ' GLU . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C4'-C3' 106.254 0.654 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.462 ' OP1' ' HB3' ' A' ' 70' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-N19 108.346 0.682 . . . . 5.3300000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 111.409 -0.676 . . . . 7.0599999999999996 111.409 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -119.07 -82.03 0.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.873 0.336 . . . . 4.3399999999999999 111.054 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.481 ' SD ' ' HB2' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -91.02 -30.02 17.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.088 0.47 . . . . 6.9400000000000004 110.025 179.646 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 121.56 -116.26 3.07 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.338 -0.705 . . . . 3.1600000000000001 111.338 -176.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 t -124.98 145.46 49.87 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.912 -0.403 . . . . 4.6500000000000004 109.912 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -162.47 169.88 19.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.372 -0.376 . . . . 5.5 110.749 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.16 -7.56 6.08 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 124.043 0.937 . . . . 2.3900000000000001 111.381 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.642 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 7.0 p -124.92 5.92 8.01 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.716 -0.674 . . . . 0.76000000000000001 112.062 -172.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.2 ttt -51.9 -55.5 19.81 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.407 0.892 . . . . 0.91000000000000003 113.407 -171.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.553 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 66.1 m-85 -107.74 -2.08 20.37 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.628 -0.429 . . . . 0.85999999999999999 112.046 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.1 p -102.64 -18.93 15.0 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 111.857 0.317 . . . . 0.25 111.857 -173.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.642 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 87.1 tttt -92.95 113.55 25.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.354 0.597 . . . . 1.28 110.903 -177.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.615 HD11 ' HA ' ' A' ' 89' ' ' ALA . 64.0 mt -100.88 134.52 40.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.3 -0.864 . . . . 0.20999999999999999 110.372 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -93.55 123.1 36.64 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.258 -0.645 . . . . 0.29999999999999999 109.258 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 6.5 t -105.11 119.7 54.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.984 -0.747 . . . . 0.25 108.984 178.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.85 154.46 19.3 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.824 -0.703 . . . . 0.23999999999999999 112.337 -172.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.49 23.84 64.25 Favored Glycine 0 C--O 1.23 -0.137 0 C-N-CA 120.729 -0.748 . . . . 0.23999999999999999 112.807 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.9 mt -78.99 140.99 58.14 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.639 0.256 . . . . 0.20000000000000001 110.818 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 33.9 Cg_endo -66.49 148.22 83.48 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.049 1.833 . . . . 0.28000000000000003 110.239 171.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -64.85 -14.67 60.22 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 111.764 0.283 . . . . 0.54000000000000004 111.764 -176.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -75.53 -21.56 57.85 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 121.048 -0.261 . . . . 2.3700000000000001 111.296 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -55.91 131.12 46.3 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.182 0.515 . . . . 0.34999999999999998 112.038 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.7 p -111.42 163.62 13.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.637 -0.71 . . . . 0.26000000000000001 109.765 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.06 -35.52 64.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.298 0.571 . . . . 0.55000000000000004 110.679 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 2.7 ttmp? -62.37 -42.19 99.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.801 . . . . 2.2400000000000002 110.893 175.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.7 m -61.22 -39.36 89.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.39000000000000001 110.934 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.7 mt -71.4 -44.73 64.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.074 0.464 . . . . 0.26000000000000001 110.139 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -56.4 -55.49 32.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.437 -0.802 . . . . 0.69999999999999996 111.018 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 8.4 mm-40 -61.2 -41.39 96.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.858 0.688 . . . . 2.6800000000000002 112.858 -177.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -70.72 -53.17 16.62 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.569 -0.453 . . . . 0.84999999999999998 111.731 -176.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.49 ' CD1' HG21 ' A' ' 81' ' ' VAL . 62.2 m-85 -71.92 -26.64 62.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.328 0.862 . . . . 0.23999999999999999 113.328 -176.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -64.1 -17.59 63.57 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.741 -0.384 . . . . 1.9299999999999999 111.19 -176.795 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -67.47 -8.86 36.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 2.0600000000000001 111.77 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -91.66 -14.33 30.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.586 0.231 . . . . 0.29999999999999999 110.989 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 160.72 -107.23 0.31 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.744 -0.741 . . . . 1.3600000000000001 112.231 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -131.21 136.09 47.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.088 0.471 . . . . 0.65000000000000002 111.457 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.468 HG12 ' SD ' ' A' ' 83' ' ' MET . 47.6 mt -107.79 134.4 49.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.639 -0.709 . . . . 0.22 110.202 177.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -81.42 -41.91 21.18 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.037 -0.727 . . . . 1.5900000000000001 109.037 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -159.41 138.79 11.35 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.182 -0.917 . . . . 2.2999999999999998 110.34 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.438 ' HB2' HG21 ' A' ' 61' ' ' ILE . . . -136.26 115.42 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.106 -0.331 . . . . 0.17000000000000001 110.106 178.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.8 m -137.6 152.01 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.953 0.406 . . . . 0.32000000000000001 111.909 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.26 134.74 33.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.196 -1.039 . . . . 0.23000000000000001 108.196 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.489 HG12 ' HA2' ' A' ' 79' ' ' GLY . 20.5 mm -89.07 126.39 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.823 0.82 . . . . 0.17000000000000001 111.136 -169.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.619 HG22 ' HA ' ' A' ' 75' ' ' SER . 74.2 p -122.16 154.16 37.8 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.359 -1.291 . . . . 0.34000000000000002 109.518 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -56.0 125.48 21.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.808 -0.442 . . . . 0.64000000000000001 109.808 171.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.419 ' HD3' ' OP1' ' B' ' 7' ' ' ' DC' . 23.2 tpt180 -59.15 -22.0 60.23 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.749 0.648 . . . . 5.2400000000000002 112.749 -173.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -90.28 -53.68 4.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.76 0.281 . . . . 1.6499999999999999 111.76 -175.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.6 p -91.97 -17.56 24.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.963 0.411 . . . . 0.70999999999999996 111.334 -176.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 64.67 32.02 11.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.499 -0.773 . . . . 1.4199999999999999 110.748 175.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -100.64 140.97 34.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.027 -0.988 . . . . 2.2000000000000002 109.713 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.619 ' HA ' HG22 ' A' ' 68' ' ' THR . 33.4 t -59.3 135.2 57.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.286 0.565 . . . . 1.1499999999999999 111.616 -176.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -97.04 10.03 40.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.246 -0.888 . . . . 2.1600000000000001 109.564 176.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.809 ' HA3' ' H22' ' B' ' 2' ' ' ' DG' . . . 74.6 23.28 75.68 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 114.965 -1.016 . . . . 0.26000000000000001 114.224 177.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.515 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 55.3 p90 -156.01 168.42 27.3 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 117.326 0.563 . . . . 0.46000000000000002 109.55 175.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.489 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -154.14 -175.29 25.21 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.187 -1.006 . . . . 0.14000000000000001 112.731 -175.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.577 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 53.7 m-85 -130.9 137.63 49.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.614 0.721 . . . . 0.31 110.929 178.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.49 HG21 ' CD1' ' A' ' 55' ' ' PHE . 25.3 t -122.11 122.02 65.48 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 114.569 -1.196 . . . . 0.28999999999999998 109.013 172.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.9 m -108.37 110.48 22.04 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 107.958 -1.127 . . . . 0.26000000000000001 107.958 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.583 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.1 mmm -83.17 144.46 29.8 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.714 -0.476 . . . . 0.42999999999999999 109.714 -176.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -67.22 -17.82 64.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.453 -0.794 . . . . 1.46 110.175 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.75 146.43 39.51 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.83 -0.623 . . . . 1.02 110.946 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.553 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 71.1 ttt180 -62.76 -42.89 99.89 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.419 -0.809 . . . . 2.9500000000000002 112.602 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.66 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -64.56 -41.04 96.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.8 0.333 . . . . 0.27000000000000002 110.896 -175.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 m -62.99 -40.57 98.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.038 -0.528 . . . . 0.55000000000000004 109.838 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.615 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -62.85 -41.22 99.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.58 -0.736 . . . . 0.17000000000000001 111.199 178.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -69.29 -36.76 77.37 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.892 -0.595 . . . . 2.0800000000000001 111.462 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 54.7 mtt180 -59.54 -41.83 90.98 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.302 -0.629 . . . . 3.23 109.302 177.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.14 -38.8 90.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.101 -0.954 . . . . 0.20000000000000001 111.374 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 65.9 m -81.3 -10.31 59.59 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 112.355 0.502 . . . . 0.32000000000000001 112.355 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -73.31 -32.92 64.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.607 0.241 . . . . 2.8999999999999999 110.756 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -106.78 91.19 5.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.342 -0.984 . . . . 1.1200000000000001 108.342 171.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.493 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 53.2 Cg_endo -69.68 -4.03 13.15 Favored 'Trans proline' 0 N--CA 1.467 -0.082 0 C-N-CA 123.055 2.504 . . . . 0.47999999999999998 113.85 -172.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.531 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 88.8 m-20 -127.28 58.64 31.85 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 113.15 0.796 . . . . 0.67000000000000004 113.15 -175.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.467 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 4.3 Cg_exo -74.22 142.79 30.99 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.555 2.17 . . . . 0.47999999999999998 112.204 177.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.1 mm -81.31 112.13 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 110.057 -0.349 . . . . 0.42999999999999999 110.057 174.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.6 mt -122.21 120.23 60.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.206 -0.452 . . . . 0.44 110.21 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.2 t70 58.86 39.26 24.12 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 122.04 0.924 . . . . 1.3300000000000001 110.483 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.0 13.75 80.74 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.202 -0.908 . . . . 0.51000000000000001 113.272 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.465 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 62.6 ttt180 -134.22 139.88 46.1 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 117.139 0.47 . . . . 1.97 110.901 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.523 ' HD3' ' HB3' ' A' ' 97' ' ' ASN . 24.5 ttmm -74.83 126.9 31.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 1.8700000000000001 110.172 178.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -108.56 160.11 16.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.585 -0.734 . . . . 0.20999999999999999 110.678 -177.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.493 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 89.0 m-20 -110.69 114.93 28.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.994 -0.743 . . . . 1.53 108.994 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.3 t -116.44 131.32 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.278 0.473 . . . . 0.38 112.278 -173.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -155.51 157.69 37.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.60999999999999999 110.225 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.6 mt -55.78 127.71 31.41 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.651 -0.5 . . . . 0.23000000000000001 109.651 172.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.6 -31.74 72.94 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.623 0.971 . . . . 0.22 113.623 -166.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.481 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 3.3 p90 -68.15 -14.52 63.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.847 0.356 . . . . 0.44 111.501 -175.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.4 mt -78.21 -8.2 58.04 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.395 0.517 . . . . 0.44 112.395 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -141.64 11.82 2.69 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 120.138 -1.03 . . . . 0.38 112.997 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.93 125.27 29.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.916 0.358 . . . . 0.57999999999999996 110.95 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.527 ' HE2' ' OP1' ' B' ' 5' ' ' ' DT' . 0.0 OUTLIER -84.52 134.02 43.3 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.48 -0.327 . . . . 2.02 110.546 175.551 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -83.29 35.61 0.58 Allowed 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.825 2.35 . . . . 2.1899999999999999 112.369 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.441 ' O ' ' HB ' ' A' ' 118' ' ' THR . 17.1 mmm180 -111.22 67.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.313 0.578 . . . . 6.5300000000000002 110.682 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 117' ' ' ARG . 11.7 t 169.28 174.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.384 -1.339 . . . . 4.3899999999999997 107.384 178.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -82.42 91.58 6.87 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.264 0.554 . . . . 6.0 110.236 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 23.4 t -89.81 91.35 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.733 -0.667 . . . . 5.7199999999999998 110.33 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 . . . . . 0 C--O 1.254 1.295 0 CA-C-O 118.381 -0.818 . . . . 7.9800000000000004 110.769 177.163 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.543 0 O5'-C5'-C4' 111.56 0.972 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.809 ' H22' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.642 0 C3'-C2'-C1' 100.047 -1.895 . . . . 2.7999999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.528 ' OP1' ' C6 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.433 -0.437 0 O5'-C5'-C4' 112.665 1.76 . . . . 2.0499999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.41 -0.797 0 C4'-C3'-C2' 105.072 1.872 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.577 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-N19 108.556 0.945 . . . . 1.3799999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . 0.444 ' N7 ' ' HE3' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.43 -0.63 0 O4'-C4'-C3' 106.122 0.522 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.419 ' OP1' ' HD3' ' A' ' 70' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O4'-C1'-N19 108.318 0.647 . . . . 5.3300000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 112.372 -0.291 . . . . 7.0599999999999996 112.372 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.9 174.48 11.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.604 0.24 . . . . 4.3399999999999999 110.802 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.5 ptp -81.4 -165.88 1.05 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.302 -0.408 . . . . 6.9400000000000004 110.92 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.44 146.67 43.57 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 121.211 -0.518 . . . . 3.1600000000000001 112.534 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.3 m -118.51 168.0 11.08 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.895 0.379 . . . . 4.6500000000000004 110.543 -177.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.564 ' HA ' ' NE ' ' A' ' 30' ' ' ARG . 1.4 mmp_? -138.12 -164.72 1.67 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.191 0.52 . . . . 5.5 111.214 -178.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' H ' ' HB3' ' A' ' 30' ' ' ARG . 4.4 p-10 -63.9 -9.41 15.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.844 -1.071 . . . . 2.3900000000000001 111.767 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.665 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 6.9 p -95.75 5.14 52.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.074 -0.512 . . . . 0.76000000000000001 111.932 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.3 ttt -51.7 -53.71 36.19 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.842 0.682 . . . . 0.91000000000000003 112.842 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -106.45 1.0 25.22 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.072 0.397 . . . . 0.85999999999999999 112.072 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.592 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 34.0 p -106.06 -17.25 14.39 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.788 -0.365 . . . . 0.25 111.845 -175.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.665 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 84.7 tttt -93.69 113.58 25.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.484 0.659 . . . . 1.28 110.829 -176.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' A' ' 89' ' ' ALA . 63.5 mt -102.03 134.73 41.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.915 -1.039 . . . . 0.20999999999999999 110.786 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -99.6 124.11 44.5 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.407 -0.59 . . . . 0.29999999999999999 109.407 174.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.66 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.4 t -106.77 127.02 62.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.484 -0.562 . . . . 0.25 109.484 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.18 161.28 21.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.295 -0.479 . . . . 0.23999999999999999 112.51 -175.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.23 13.08 83.68 Favored Glycine 0 C--O 1.229 -0.185 0 C-N-CA 121.087 -0.578 . . . . 0.23999999999999999 112.707 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.8 mt -76.51 138.07 67.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.534 0.207 . . . . 0.20000000000000001 111.017 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.496 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 9.6 Cg_endo -59.68 142.4 98.7 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.867 1.711 . . . . 0.28000000000000003 110.269 171.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -58.53 -30.96 67.49 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.419 0.526 . . . . 0.54000000000000004 112.419 -171.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.441 ' HD2' ' HB2' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -82.65 -3.74 56.72 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.821 0.674 . . . . 2.3700000000000001 112.821 -176.137 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.2 m -55.08 139.06 42.71 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 117.907 0.321 . . . . 0.34999999999999998 110.527 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.1 p -111.02 162.48 14.82 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 120.94 0.4 . . . . 0.26000000000000001 110.794 -177.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.04 -33.58 57.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.445 -0.798 . . . . 0.55000000000000004 110.269 176.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.627 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 40.2 ttmt -62.11 -44.46 96.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.834 -0.621 . . . . 2.2400000000000002 110.985 176.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.3 m -61.43 -39.69 91.73 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.214 0.531 . . . . 0.39000000000000001 110.809 -176.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 48.7 mt -71.28 -39.81 71.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.791 -0.64 . . . . 0.26000000000000001 109.931 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -55.9 -55.54 31.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.873 -1.058 . . . . 0.69999999999999996 110.792 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 7.0 mm-40 -60.0 -44.95 94.2 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.931 0.715 . . . . 2.6800000000000002 112.931 -177.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.05 -52.86 20.63 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.385 -0.526 . . . . 0.84999999999999998 112.109 -173.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -70.22 -27.75 64.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.508 0.929 . . . . 0.23999999999999999 113.508 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -68.1 -15.28 63.52 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.378 -0.529 . . . . 1.9299999999999999 110.881 -177.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -68.95 -10.66 58.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.445 -0.343 . . . . 2.0600000000000001 111.27 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 72.3 m-85 -91.9 -15.97 27.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.64 -0.255 . . . . 0.29999999999999999 111.466 177.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.31 -115.31 0.63 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.53 -0.843 . . . . 1.3600000000000001 112.786 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.44 ' HB2' ' HB3' ' A' ' 84' ' ' LYS . 29.4 m-20 -125.96 132.9 51.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.731 -0.276 . . . . 0.65000000000000002 110.307 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.456 HG12 ' SD ' ' A' ' 83' ' ' MET . 43.1 mt -105.21 140.24 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.168 0.509 . . . . 0.22 112.349 178.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -77.3 -54.55 6.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.129 -0.941 . . . . 1.5900000000000001 109.545 170.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -155.44 141.99 18.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.299 -1.319 . . . . 2.2999999999999998 110.11 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.51 115.3 12.13 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.023 -0.362 . . . . 0.17000000000000001 110.023 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.15 152.66 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.606 0.595 . . . . 0.32000000000000001 112.606 -174.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.2 t -98.13 135.54 32.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.316 -0.994 . . . . 0.23000000000000001 108.316 171.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.501 HG12 ' HA2' ' A' ' 79' ' ' GLY . 8.0 mm -83.91 127.7 39.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.679 0.752 . . . . 0.17000000000000001 112.093 -170.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.602 HG22 ' HA ' ' A' ' 75' ' ' SER . 34.5 p -126.32 147.42 49.73 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 114.487 -1.233 . . . . 0.34000000000000002 109.29 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.09 132.25 52.35 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.64000000000000001 110.65 174.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.479 ' CD ' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -63.68 -21.13 66.22 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.266 0.839 . . . . 5.2400000000000002 113.266 -176.474 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -90.08 -55.98 3.4 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.748 -0.381 . . . . 1.6499999999999999 111.867 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.7 p -92.54 -18.65 22.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.949 0.351 . . . . 0.70999999999999996 111.949 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 68.42 30.69 5.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.313 -0.858 . . . . 1.4199999999999999 111.03 176.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.476 ' HB3' ' O6 ' ' B' ' 1' ' ' ' DG' . 14.6 mmmm -95.95 134.67 38.67 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.211 -0.45 . . . . 2.2000000000000002 110.008 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.602 ' HA ' HG22 ' A' ' 68' ' ' THR . 38.1 t -59.56 137.27 58.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.244 0.545 . . . . 1.1499999999999999 111.635 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -96.39 7.98 45.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.52 -0.764 . . . . 2.1600000000000001 110.746 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.714 ' HA3' ' H22' ' B' ' 2' ' ' ' DG' . . . 74.18 24.62 73.05 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.496 -0.859 . . . . 0.26000000000000001 113.99 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.66 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 34.7 p90 -158.54 168.47 26.83 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 117.159 0.479 . . . . 0.46000000000000002 109.942 175.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.501 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -152.8 -175.46 24.32 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.004 -1.093 . . . . 0.14000000000000001 113.562 -173.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.573 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 52.6 m-85 -132.52 139.87 48.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.421 0.629 . . . . 0.31 111.593 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.9 t -122.0 129.94 74.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 114.703 -1.135 . . . . 0.28999999999999998 109.747 170.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -105.33 109.6 21.64 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.99 -1.115 . . . . 0.26000000000000001 107.99 173.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.456 ' SD ' HG12 ' A' ' 61' ' ' ILE . 95.2 mmm -85.4 150.02 25.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.186 0.517 . . . . 0.42999999999999999 110.919 -177.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.44 ' HB3' ' HB2' ' A' ' 60' ' ' ASP . 20.1 ttmm -72.71 -18.36 61.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.298 -0.864 . . . . 1.46 110.696 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -146.8 150.95 36.31 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.213 0.53 . . . . 1.02 110.595 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.87 -38.97 83.74 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.258 -0.883 . . . . 2.9500000000000002 112.402 -177.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -63.54 -44.39 94.34 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 121.013 -0.275 . . . . 0.27000000000000002 110.677 -175.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -63.86 -39.73 94.89 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.579 -0.526 . . . . 0.55000000000000004 109.579 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.528 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -62.5 -42.05 99.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.588 -0.733 . . . . 0.17000000000000001 111.091 178.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.06 -37.21 75.44 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 120.599 -0.44 . . . . 2.0800000000000001 111.209 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 21.0 mtp180 -60.3 -36.98 79.12 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.373 -0.531 . . . . 3.23 109.83 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.478 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -63.17 -41.67 99.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.875 -0.602 . . . . 0.20000000000000001 111.312 173.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 61.3 m -82.35 -10.73 58.96 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.933 0.345 . . . . 0.32000000000000001 111.933 -175.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 94' ' ' LYS . 12.1 tptm -74.37 -28.15 60.99 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.97 0.415 . . . . 2.8999999999999999 110.161 -174.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -112.07 89.95 12.73 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 107.692 -1.225 . . . . 1.1200000000000001 107.692 168.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.454 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.1 Cg_endo -69.55 3.62 2.57 Favored 'Trans proline' 0 N--CA 1.466 -0.124 0 C-N-CA 123.046 2.497 . . . . 0.47999999999999998 114.314 -170.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.693 ' HB3' ' HD2' ' A' ' 104' ' ' LYS . 80.9 m-20 -131.34 62.92 67.8 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 113.012 0.745 . . . . 0.67000000000000004 113.012 -176.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.27 147.3 29.19 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.293 1.995 . . . . 0.47999999999999998 112.325 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 42.1 mm -83.45 116.87 28.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.93 0.395 . . . . 0.42999999999999999 110.522 172.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.6 mt -125.84 120.61 57.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.949 -0.568 . . . . 0.44 110.194 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.409 ' OD1' ' NE2' ' A' ' 45' ' ' HIS . 36.2 t70 59.58 37.38 22.66 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 122.04 0.924 . . . . 1.3300000000000001 110.414 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.86 5.08 68.63 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.553 -0.749 . . . . 0.51000000000000001 112.994 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.496 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 24.9 tpt180 -115.82 143.66 45.1 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.903 0.383 . . . . 1.97 110.395 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.693 ' HD2' ' HB3' ' A' ' 97' ' ' ASN . 16.7 tppt? -77.92 119.51 21.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.126 -0.488 . . . . 1.8700000000000001 109.896 175.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.496 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.05 158.17 17.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.06 0.457 . . . . 0.20999999999999999 111.573 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 7.4 m-20 -114.39 115.57 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.476 -0.784 . . . . 1.53 109.061 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.457 HG22 HG13 ' A' ' 39' ' ' VAL . 90.7 t -118.27 132.46 68.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 112.428 0.529 . . . . 0.38 112.428 -176.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -152.08 156.25 39.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.577 -0.738 . . . . 0.60999999999999999 110.079 174.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.8 mt -55.19 130.29 41.56 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.625 -0.509 . . . . 0.23000000000000001 109.625 172.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.56 -35.9 77.18 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.097 0.777 . . . . 0.22 113.097 -169.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -69.41 -14.92 63.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.893 0.378 . . . . 0.44 110.889 -174.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.6 mt -75.21 -8.8 57.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.065 -0.516 . . . . 0.44 111.801 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.491 ' HA3' ' O4 ' ' B' ' 5' ' ' ' DT' . . . -137.05 13.86 3.82 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.445 -0.883 . . . . 0.38 111.959 -177.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.59 134.67 36.47 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.981 -0.377 . . . . 0.57999999999999996 109.981 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -81.65 131.24 58.4 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.514 -0.312 . . . . 2.02 110.98 -175.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -83.62 -179.28 4.09 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.898 2.399 . . . . 2.1899999999999999 112.493 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 57.81 -75.31 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.563 0.745 . . . . 6.5300000000000002 112.505 -174.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.5 t -84.17 151.53 24.81 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.905 0.383 . . . . 4.3899999999999997 110.26 -178.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -133.65 158.65 42.69 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.765 -0.828 . . . . 6.0 108.765 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 43.0 t -73.52 87.71 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.43 0.634 . . . . 5.7199999999999998 110.304 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 . . . . . 0 C--O 1.245 0.857 0 CA-C-N 115.241 -0.89 . . . . 7.9800000000000004 110.247 -178.927 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.476 ' O6 ' ' HB3' ' A' ' 74' ' ' LYS . . . . . . . . 0 O5'--C5' 1.431 -0.567 0 O5'-C5'-C4' 112.423 1.588 . . . . 4.71 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.714 ' H22' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.431 -0.589 0 C3'-C2'-C1' 100.775 -1.375 . . . . 2.7999999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.612 0 C3'-C2'-C1' 100.173 -1.805 . . . . 2.0499999999999998 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.522 ' N3 ' " H2'" ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.669 0 C1'-O4'-C4' 106.281 -2.442 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.573 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C3'-C2'-C1' 100.311 -1.707 . . . . 1.3799999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . 0.506 ' N7 ' ' HE3' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.43 -0.646 0 C5'-C4'-C3' 115.826 0.75 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.419 " H4'" ' HG3' ' A' ' 70' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O4'-C1'-C2' 107.354 1.14 . . . . 5.3300000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.921 0 N-CA-C 111.675 -0.57 . . . . 7.0599999999999996 111.675 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.89 127.98 34.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.957 0.408 . . . . 4.3399999999999999 111.252 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.2 mtm -127.67 20.17 6.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.867 -0.606 . . . . 6.9400000000000004 109.921 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.93 33.28 30.22 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.738 . . . . 3.1600000000000001 112.117 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.4 m -139.38 144.62 38.26 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.72 -0.474 . . . . 4.6500000000000004 109.72 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.7 7.3 3.51 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.861 0.319 . . . . 5.5 111.861 -176.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.87 -20.28 64.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.329 0.585 . . . . 2.3900000000000001 110.42 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.654 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 1.2 p -96.07 9.63 40.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.197 -0.91 . . . . 0.76000000000000001 111.844 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.1 ttt -52.23 -54.66 28.29 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 112.345 0.498 . . . . 0.91000000000000003 112.345 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.598 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 64.4 m-85 -106.28 -3.35 21.33 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.807 -0.357 . . . . 0.85999999999999999 111.654 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.645 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 24.0 p -101.7 -23.07 14.29 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.735 -0.386 . . . . 0.25 111.854 -173.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.654 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 58.5 tttm -90.81 113.5 25.66 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.238 0.542 . . . . 1.28 110.308 -177.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.496 HD11 ' HA ' ' A' ' 89' ' ' ALA . 71.2 mt -101.51 135.12 39.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.441 -0.8 . . . . 0.20999999999999999 109.96 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -98.37 127.86 44.5 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.264 -0.643 . . . . 0.29999999999999999 109.264 174.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.43 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.2 t -110.49 128.03 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 N-CA-C 109.323 -0.621 . . . . 0.25 109.323 177.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.21 161.78 21.34 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.93 -0.577 . . . . 0.23999999999999999 112.055 -175.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.5 25.34 75.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.821 -0.704 . . . . 0.23999999999999999 112.565 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.5 mt -79.57 138.71 54.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.826 0.346 . . . . 0.20000000000000001 110.914 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 24.0 Cg_endo -64.46 139.54 65.19 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 121.872 1.715 . . . . 0.28000000000000003 110.037 173.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -63.01 -16.53 60.14 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.123 0.416 . . . . 0.54000000000000004 112.123 -172.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -76.54 -22.05 54.88 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 111.879 0.326 . . . . 2.3700000000000001 111.879 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.499 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 55.1 m -57.58 141.77 46.89 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.212 0.449 . . . . 0.34999999999999998 112.212 -175.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.8 p -112.88 162.03 16.29 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 120.945 0.403 . . . . 0.26000000000000001 111.116 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.03 -36.02 62.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.69 -0.686 . . . . 0.55000000000000004 110.109 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -61.81 -42.42 98.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.529 -0.759 . . . . 2.2400000000000002 110.481 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.521 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 9.6 m -64.86 -37.85 89.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.992 -0.549 . . . . 0.39000000000000001 111.415 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 mt -70.36 -43.87 69.29 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.346 -0.613 . . . . 0.26000000000000001 109.346 177.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -56.04 -56.39 21.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.819 -1.082 . . . . 0.69999999999999996 110.394 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.521 ' OE2' ' HA ' ' A' ' 50' ' ' THR . 7.7 pt-20 -61.36 -40.12 93.15 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.09 0.774 . . . . 2.6800000000000002 113.09 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -69.98 -52.21 26.14 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.706 -0.398 . . . . 0.84999999999999998 111.55 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -72.32 -28.72 63.25 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.552 0.945 . . . . 0.23999999999999999 113.552 -176.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.476 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 12.7 pt-20 -65.93 -18.49 65.38 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.825 -0.35 . . . . 1.9299999999999999 111.374 -175.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -68.54 -7.0 28.53 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.187 0.44 . . . . 2.0600000000000001 112.187 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -91.73 -16.11 27.39 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.96 0.409 . . . . 0.29999999999999999 110.861 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.5 -109.01 0.3 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.893 -0.67 . . . . 1.3600000000000001 111.779 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -133.61 148.02 51.53 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.902 -0.407 . . . . 0.65000000000000002 109.902 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.444 HG12 ' SD ' ' A' ' 83' ' ' MET . 33.0 mt -112.77 141.42 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.129 0.49 . . . . 0.22 111.656 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -79.99 -49.61 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.148 -0.933 . . . . 1.5900000000000001 109.928 173.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -158.25 137.29 11.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.722 -1.127 . . . . 2.2999999999999998 109.72 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.73 115.78 12.4 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.121 -0.232 . . . . 0.17000000000000001 110.398 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.1 m -138.42 150.97 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.952 0.406 . . . . 0.32000000000000001 112.044 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.76 133.91 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 107.622 -1.251 . . . . 0.23000000000000001 107.622 170.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.787 HG12 ' HA2' ' A' ' 79' ' ' GLY . 26.0 mm -82.93 125.43 40.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-O 121.722 0.772 . . . . 0.17000000000000001 111.212 -169.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.422 ' HB ' ' C ' ' A' ' 73' ' ' GLN . 53.9 p -120.0 149.19 42.55 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.582 -1.19 . . . . 0.34000000000000002 108.816 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.27 126.11 23.53 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 110.028 -0.36 . . . . 0.64000000000000001 110.028 173.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -57.94 -23.34 53.18 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.206 0.447 . . . . 5.2400000000000002 112.206 -174.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -84.08 -55.21 4.33 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.516 -0.311 . . . . 1.6499999999999999 111.231 -176.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.5 p -99.69 -14.4 18.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.578 0.584 . . . . 0.70999999999999996 112.578 -174.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.422 ' C ' ' HB ' ' A' ' 68' ' ' THR . 36.9 mt-30 64.49 30.78 12.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.402 0.62 . . . . 1.4199999999999999 110.702 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -91.34 134.99 34.13 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.442 -0.799 . . . . 2.2000000000000002 109.606 175.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.419 ' HA ' HG22 ' A' ' 68' ' ' THR . 4.4 p -59.85 134.87 57.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.331 0.586 . . . . 1.1499999999999999 111.713 -176.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.9 mtp85 -96.4 13.44 27.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.878 -0.601 . . . . 2.1600000000000001 110.656 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.659 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 73.87 16.66 79.29 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.526 -0.761 . . . . 0.26000000000000001 114.463 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 44.3 p90 -151.76 166.82 30.18 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 117.373 0.586 . . . . 0.46000000000000002 109.622 176.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.787 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -155.35 -178.62 29.77 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.416 -0.897 . . . . 0.14000000000000001 113.037 -176.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.677 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 51.8 m-85 -134.19 140.3 46.41 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.649 0.738 . . . . 0.31 112.412 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.7 t -127.2 131.85 70.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 114.27 -1.332 . . . . 0.28999999999999998 109.661 171.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 m -107.77 110.56 22.41 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.584 -1.265 . . . . 0.26000000000000001 107.584 171.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.477 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 95.3 mmm -84.28 149.46 26.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.92 0.391 . . . . 0.42999999999999999 110.103 -177.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -76.08 -18.35 59.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.647 -0.706 . . . . 1.46 110.57 -175.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.59 149.02 40.2 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.078 0.466 . . . . 1.02 111.084 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.598 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 14.8 ttm180 -60.9 -43.59 98.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.63 -0.714 . . . . 2.9500000000000002 112.507 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.637 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -65.02 -40.97 95.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.477 -0.329 . . . . 0.27000000000000002 110.875 -174.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.7 m -62.49 -43.97 97.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.29 0.567 . . . . 0.55000000000000004 109.983 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.496 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -63.01 -43.66 98.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.17 -0.923 . . . . 0.17000000000000001 111.154 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -70.24 -35.34 73.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.035 -0.529 . . . . 2.0800000000000001 111.604 -176.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 27.7 mmm180 -59.15 -42.92 91.83 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.592 -0.522 . . . . 3.23 109.592 175.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.91 -36.57 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.549 -0.751 . . . . 0.20000000000000001 111.081 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 63.0 m -81.28 -10.11 59.64 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.333 0.494 . . . . 0.32000000000000001 112.333 -176.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -75.25 -28.69 59.94 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.63 -0.428 . . . . 2.8999999999999999 110.183 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -108.32 85.45 2.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.687 -0.857 . . . . 1.1200000000000001 108.687 171.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.5 -9.21 25.61 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 123.25 2.633 . . . . 0.47999999999999998 114.051 -169.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.645 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 14.8 m120 -132.24 65.4 74.96 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 112.593 0.59 . . . . 0.67000000000000004 112.593 -173.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 3.4 Cg_exo -74.83 147.56 34.89 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.869 2.38 . . . . 0.47999999999999998 111.7 176.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.9 mm -82.09 111.04 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.929 0.395 . . . . 0.42999999999999999 110.018 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.2 mt -125.13 120.29 57.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 0.44 110.101 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.2 t0 60.68 34.92 19.92 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 122.087 0.946 . . . . 1.3300000000000001 110.1 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 82.35 3.44 90.54 Favored Glycine 0 C--N 1.331 0.26 0 CA-C-N 115.077 -0.965 . . . . 0.51000000000000001 113.495 176.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.422 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 14.7 tpt180 -125.74 137.08 53.8 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.903 0.351 . . . . 1.97 110.676 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.412 ' CG ' ' HB3' ' A' ' 97' ' ' ASN . 22.9 ttmm -74.08 124.66 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.476 -0.564 . . . . 1.8700000000000001 109.476 173.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.645 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.88 159.42 16.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.159 -0.473 . . . . 0.20999999999999999 111.076 -173.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -101.95 113.87 27.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.529 -0.915 . . . . 1.53 108.529 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 57.7 t -120.34 128.13 75.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.064 0.459 . . . . 0.38 111.99 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -155.18 154.34 32.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.556 -0.747 . . . . 0.60999999999999999 109.999 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.3 mt -56.95 130.54 46.42 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.741 -0.466 . . . . 0.23000000000000001 109.741 172.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.69 -29.24 69.2 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.332 0.864 . . . . 0.22 113.332 -167.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -67.21 -18.35 65.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.985 0.421 . . . . 0.44 111.212 -177.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.94 -19.36 65.71 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 113.086 0.772 . . . . 0.44 113.086 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -147.34 14.81 1.46 Allowed Glycine 0 CA--C 1.52 0.372 0 C-N-CA 119.973 -1.108 . . . . 0.38 112.933 -173.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.27 134.4 37.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.878 0.37 . . . . 0.57999999999999996 111.298 -174.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 0.4 OUTLIER -77.33 128.71 79.76 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.17 -0.468 . . . . 2.02 110.002 177.012 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.16 52.97 2.83 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 123.429 2.753 . . . . 2.1899999999999999 113.465 -175.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 57.72 89.2 0.05 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.488 -0.778 . . . . 6.5300000000000002 112.015 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 119' ' ' ASN . 13.0 p -84.24 -80.41 0.2 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.951 -0.568 . . . . 4.3899999999999997 109.595 173.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 118' ' ' THR . 65.9 t30 174.56 116.37 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.483 0.489 . . . . 6.0 110.175 170.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 25.5 t -76.97 -74.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.949 -0.389 . . . . 5.7199999999999998 109.949 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 C--O 1.245 0.862 0 O-C-N 124.073 0.858 . . . . 7.9800000000000004 111.163 176.069 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.588 0 O5'-C5'-C4' 111.508 0.934 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.659 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.595 0 C3'-C2'-C1' 100.353 -1.677 . . . . 2.7999999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.525 ' OP1' ' C6 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.565 0 P-O5'-C5' 122.924 1.265 . . . . 2.0499999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C4'-C3'-C2' 105.156 1.956 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.677 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.43 -0.625 0 O4'-C1'-N19 108.64 1.05 . . . . 1.3799999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . 0.453 ' N7 ' ' HE2' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 O5'-C5'-C4' 111.194 0.71 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.493 " O5'" ' H6 ' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.68 0 O4'-C1'-N19 108.22 0.525 . . . . 5.3300000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.899 0 N-CA-C 112.63 -0.188 . . . . 7.0599999999999996 112.63 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.61 166.36 22.29 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.56 -0.376 . . . . 4.3399999999999999 110.92 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.2 ttt -142.31 141.84 32.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.227 -0.442 . . . . 6.9400000000000004 110.47 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.76 -134.26 1.78 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.889 -0.884 . . . . 3.1600000000000001 110.889 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.4 m -70.98 129.18 38.35 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.868 -0.419 . . . . 4.6500000000000004 109.868 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.585 ' H ' ' HD2' ' A' ' 30' ' ' ARG . 2.7 mpt_? -74.23 -37.62 63.75 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.371 0.605 . . . . 5.5 110.297 -176.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -71.82 -11.11 60.65 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.058 -0.974 . . . . 2.3900000000000001 111.455 -170.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.595 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 11.0 p -101.56 -1.68 32.35 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.85 0.315 . . . . 0.76000000000000001 111.85 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.3 ttt -52.11 -51.49 57.46 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.226 0.454 . . . . 0.91000000000000003 112.226 -176.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.454 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 94.7 m-85 -102.86 3.34 36.49 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.791 0.293 . . . . 0.85999999999999999 111.791 -175.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.595 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 17.0 p -112.94 -13.79 13.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.023 0.379 . . . . 0.25 112.023 -175.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HE2' ' O6 ' ' B' ' 6' ' ' ' DG' . 63.2 tttm -89.06 113.01 24.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.968 0.413 . . . . 1.28 110.382 -178.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.515 HD11 ' HA ' ' A' ' 89' ' ' ALA . 60.8 mt -100.05 134.63 38.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.882 -0.599 . . . . 0.20999999999999999 110.919 -178.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.446 ' HD2' ' CE2' ' A' ' 80' ' ' PHE . 60.8 t80 -101.32 124.6 47.27 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.661 -0.496 . . . . 0.29999999999999999 109.661 172.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.53 HG13 HG22 ' A' ' 107' ' ' VAL . 7.5 t -109.0 126.84 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 109.348 -0.612 . . . . 0.25 109.348 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.29 158.98 21.28 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 116.113 -0.494 . . . . 0.23999999999999999 112.414 -172.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.66 20.61 79.82 Favored Glycine 0 C--O 1.229 -0.176 0 C-N-CA 121.051 -0.595 . . . . 0.23999999999999999 112.611 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.4 mt -74.9 133.19 76.24 Favored Pre-proline 0 C--N 1.323 -0.546 0 C-N-CA 122.293 0.237 . . . . 0.20000000000000001 111.381 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 10.0 Cg_endo -56.82 139.01 88.0 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.946 1.764 . . . . 0.28000000000000003 110.691 172.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -60.41 -28.24 68.1 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.798 0.666 . . . . 0.54000000000000004 112.798 -169.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -83.85 -3.24 57.74 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.482 0.919 . . . . 2.3700000000000001 113.482 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.457 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 35.7 m -59.46 140.92 55.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.275 0.489 . . . . 0.34999999999999998 111.383 173.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.5 p -111.7 163.94 13.58 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.119 0.485 . . . . 0.26000000000000001 110.943 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.47 -35.9 61.06 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.515 -0.766 . . . . 0.55000000000000004 110.627 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -61.75 -42.4 98.92 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.851 -0.613 . . . . 2.2400000000000002 110.938 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.6 m -65.68 -37.65 87.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.699 0.285 . . . . 0.39000000000000001 110.961 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.75 -46.71 68.11 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.224 -0.591 . . . . 0.26000000000000001 109.659 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -55.8 -55.96 26.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.376 -0.829 . . . . 0.69999999999999996 111.221 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.699 ' HG3' ' N ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -62.22 -40.37 95.88 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.499 0.555 . . . . 2.6800000000000002 112.499 -174.396 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.699 ' N ' ' HG3' ' A' ' 53' ' ' GLU . 25.0 t80 -70.44 -52.61 20.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.965 0.412 . . . . 0.84999999999999998 110.915 -175.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.48 ' HB2' HD11 ' A' ' 61' ' ' ILE . 64.8 m-85 -71.8 -27.03 62.66 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.818 0.673 . . . . 0.23999999999999999 112.818 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.43 -15.32 63.26 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.378 -0.529 . . . . 1.9299999999999999 110.954 -176.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -67.29 -10.56 51.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.689 0.28 . . . . 2.0600000000000001 111.061 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.432 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 40.5 m-85 -91.73 -19.36 22.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.458 -0.337 . . . . 0.29999999999999999 110.87 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.87 -111.79 0.48 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.326 -0.94 . . . . 1.3600000000000001 112.947 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -125.35 124.3 41.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.802 0.335 . . . . 0.65000000000000002 111.321 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.48 HD11 ' HB2' ' A' ' 55' ' ' PHE . 34.8 mt -95.91 133.15 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.604 0.716 . . . . 0.22 111.231 173.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -82.37 -43.21 17.68 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.704 -1.135 . . . . 1.5900000000000001 109.243 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -160.1 136.15 8.62 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.61 -0.723 . . . . 2.2999999999999998 109.881 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.44 116.78 12.73 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.11 -0.368 . . . . 0.17000000000000001 110.887 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.1 m -138.22 149.15 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 112.628 0.603 . . . . 0.32000000000000001 112.628 -178.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.8 t -91.03 134.62 29.11 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.136 0 N-CA-C 108.5 -0.926 . . . . 0.23000000000000001 108.5 169.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.772 HG12 ' HA2' ' A' ' 79' ' ' GLY . 41.2 mm -90.2 124.13 42.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.661 0.743 . . . . 0.17000000000000001 111.338 -169.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.699 HG22 ' HA ' ' A' ' 75' ' ' SER . 48.4 p -124.99 154.41 41.28 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 114.862 -1.063 . . . . 0.34000000000000002 108.665 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -57.42 134.03 55.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.064 0.459 . . . . 0.64000000000000001 111.579 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -58.34 -26.62 63.32 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.813 -0.631 . . . . 5.2400000000000002 112.549 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -96.28 -53.39 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.016 0.376 . . . . 1.6499999999999999 112.016 -175.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.5 p -92.12 -21.18 20.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.158 0.504 . . . . 0.70999999999999996 111.769 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.459 ' C ' ' HB ' ' A' ' 68' ' ' THR . 84.7 mt-30 68.24 21.77 8.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.974 -1.012 . . . . 1.4199999999999999 110.467 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -75.04 129.83 38.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.689 -0.856 . . . . 2.2000000000000002 108.689 175.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.699 ' HA ' HG22 ' A' ' 68' ' ' THR . 8.7 m -56.9 126.18 25.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.117 0.484 . . . . 1.1499999999999999 110.364 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -86.59 10.68 14.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.332 0.587 . . . . 2.1600000000000001 110.657 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.16 18.3 79.44 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.438 -0.801 . . . . 0.26000000000000001 114.191 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.516 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 49.0 p90 -155.22 167.29 30.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 117.331 0.566 . . . . 0.46000000000000002 110.294 177.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.772 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -150.11 -178.12 24.73 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.882 -0.675 . . . . 0.14000000000000001 111.913 -177.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.581 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 51.2 m-85 -133.11 138.3 46.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.9 0.857 . . . . 0.31 112.084 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.443 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 24.6 t -125.42 121.48 60.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 114.23 -1.35 . . . . 0.28999999999999998 109.142 174.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.4 m -107.04 110.87 23.1 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.451 -0.944 . . . . 0.26000000000000001 108.451 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.637 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.8 mmm -84.55 141.0 31.02 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.233 0.539 . . . . 0.42999999999999999 110.317 -177.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -68.02 -17.29 64.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.017 -0.992 . . . . 1.46 110.509 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.05 147.66 38.97 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.997 -0.547 . . . . 1.02 109.975 -178.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.454 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 48.4 ttt180 -67.16 -41.58 85.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.625 -0.261 . . . . 2.9500000000000002 111.703 -176.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.664 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -64.01 -40.7 96.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.753 0.311 . . . . 0.27000000000000002 110.312 -173.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.6 m -61.88 -43.79 98.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.704 -0.68 . . . . 0.55000000000000004 109.707 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.637 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.35 -44.0 97.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.443 -0.799 . . . . 0.17000000000000001 111.218 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -71.43 -33.63 69.58 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.785 -0.643 . . . . 2.0800000000000001 111.585 -175.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.664 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 30.8 mmt180 -57.95 -43.85 86.65 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.441 -0.577 . . . . 3.23 109.441 173.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -61.38 -37.39 83.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.482 -0.781 . . . . 0.20000000000000001 111.257 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 66.9 m -80.94 -10.24 59.74 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.143 0.423 . . . . 0.32000000000000001 112.143 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -65.51 -34.64 78.75 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 122.22 -0.3 . . . . 2.8999999999999999 110.61 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -110.07 92.78 13.69 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 108.72 -0.844 . . . . 1.1200000000000001 108.72 171.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.439 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.1 Cg_endo -69.85 -2.65 10.61 Favored 'Trans proline' 0 CA--C 1.521 -0.139 0 C-N-CA 122.742 2.295 . . . . 0.47999999999999998 113.419 -174.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.679 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 82.3 m-20 -130.88 60.0 50.06 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 112.395 0.516 . . . . 0.67000000000000004 112.395 -177.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 2.9 Cg_exo -73.78 147.53 39.81 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.456 2.104 . . . . 0.47999999999999998 111.796 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.1 mm -82.17 110.13 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.486 -0.561 . . . . 0.42999999999999999 109.486 174.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.2 mt -123.32 123.78 68.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.854 -0.612 . . . . 0.44 110.029 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.4 t0 59.23 36.75 23.84 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.886 0.85 . . . . 1.3300000000000001 109.996 176.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.16 11.53 84.82 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.138 -0.937 . . . . 0.51000000000000001 113.928 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -134.97 141.44 46.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.029 0.415 . . . . 1.97 111.613 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.549 ' HE3' ' HB3' ' A' ' 97' ' ' ASN . 2.7 ttmp? -70.42 124.41 24.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 1.8700000000000001 110.072 174.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.679 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -108.23 159.9 16.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.87 -0.605 . . . . 0.20999999999999999 110.645 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 4.7 m-20 -111.12 115.18 28.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.375 -0.602 . . . . 1.53 109.375 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.53 HG22 HG13 ' A' ' 39' ' ' VAL . 98.0 t -120.54 136.47 57.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 112.265 0.469 . . . . 0.38 112.265 -175.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -153.34 155.55 36.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.583 -0.735 . . . . 0.60999999999999999 109.574 173.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.4 mt -55.77 127.54 30.6 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.897 0.38 . . . . 0.23000000000000001 109.989 173.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.16 71.08 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.551 0.945 . . . . 0.22 113.551 -167.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -69.2 -16.93 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.991 0.424 . . . . 0.44 111.134 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 mt -79.88 -6.59 57.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.44 111.633 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.572 ' HA3' ' O4 ' ' B' ' 5' ' ' ' DT' . . . -136.86 13.93 3.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.211 -0.995 . . . . 0.38 112.422 -176.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.26 143.11 45.21 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.809 -0.23 . . . . 0.57999999999999996 110.434 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.6 127.79 91.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.71 0.291 . . . . 2.02 111.407 -176.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.12 14.17 1.82 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.96 2.44 . . . . 2.1899999999999999 111.653 174.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.45 ' HD2' ' HA ' ' A' ' 117' ' ' ARG . 22.9 tpt180 -150.31 96.9 2.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.968 -1.015 . . . . 6.5300000000000002 108.643 176.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -136.47 178.38 7.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.042 -0.526 . . . . 4.3899999999999997 111.141 -175.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.407 ' O ' ' HB ' ' A' ' 120' ' ' VAL . 4.8 t30 -74.7 -31.88 62.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.785 -0.643 . . . . 6.0 109.827 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 119' ' ' ASN . 61.3 t 72.99 144.15 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.345 -0.843 . . . . 5.7199999999999998 110.032 -173.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 117.818 -1.087 . . . . 7.9800000000000004 111.129 -177.19 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 O5'-C5'-C4' 111.35 0.822 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.555 0 C3'-C2'-C1' 101.706 -0.71 . . . . 2.7999999999999998 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.607 0 C3'-C2'-C1' 99.852 -2.034 . . . . 2.0499999999999998 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.465 " C2'" ' H72' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C1'-O4'-C4' 105.233 -3.191 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.581 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.43 -0.614 0 C3'-C2'-C1' 100.977 -1.231 . . . . 1.3799999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . 0.504 ' O6 ' ' HE2' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.43 -0.632 0 C5'-C4'-C3' 115.899 0.8 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C4'-C3'-C2' 104.038 0.838 . . . . 5.3300000000000001 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.793 -0.523 . . . . 7.0599999999999996 111.793 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -152.26 162.24 41.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.783 0.325 . . . . 4.3399999999999999 110.41 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.4 ptp -161.76 178.06 9.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.904 -0.589 . . . . 6.9400000000000004 109.465 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 150.19 -162.17 29.14 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.534 -0.841 . . . . 3.1600000000000001 111.988 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 m -83.89 59.01 4.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.913 0.387 . . . . 4.6500000000000004 110.273 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.465 ' HB2' ' HG3' ' A' ' 33' ' ' MET . 20.4 mmt180 -99.9 111.04 23.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.085 0.469 . . . . 5.5 111.258 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.84 -17.06 60.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.198 -0.91 . . . . 2.3900000000000001 111.173 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.629 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 0.8 OUTLIER -96.54 3.31 52.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.69 -0.686 . . . . 0.76000000000000001 112.767 -176.601 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.465 ' HG3' ' HB2' ' A' ' 30' ' ' ARG . 50.0 mtp -53.37 -52.27 59.81 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.211 0.819 . . . . 0.91000000000000003 113.211 -177.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.459 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 77.0 m-85 -106.74 -1.36 22.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.536 0.607 . . . . 0.85999999999999999 111.301 -177.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.629 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 32.5 p -102.98 -25.5 13.43 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.138 0.421 . . . . 0.25 112.138 -175.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.563 ' HE2' ' O6 ' ' B' ' 6' ' ' ' DG' . 62.0 tttm -85.94 113.43 22.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.968 0.413 . . . . 1.28 110.421 -176.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' A' ' 89' ' ' ALA . 63.0 mt -101.5 134.94 40.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.844 -0.616 . . . . 0.20999999999999999 111.332 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.402 ' HD2' ' CZ ' ' A' ' 80' ' ' PHE . 74.9 t80 -101.04 127.78 47.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.987 -0.552 . . . . 0.29999999999999999 109.563 174.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.471 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.6 t -114.67 130.51 68.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 110.169 -0.308 . . . . 0.25 110.169 178.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.31 163.05 21.24 Favored Glycine 0 C--O 1.227 -0.327 0 CA-C-N 116.005 -0.543 . . . . 0.23999999999999999 111.945 -174.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.65 10.37 84.78 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.805 -0.712 . . . . 0.23999999999999999 112.597 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.8 mt -69.75 132.62 88.83 Favored Pre-proline 0 C--N 1.327 -0.401 0 C-N-CA 122.749 0.42 . . . . 0.20000000000000001 111.563 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.635 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 10.7 Cg_endo -57.07 139.88 91.16 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.215 1.943 . . . . 0.28000000000000003 110.213 173.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -62.31 -30.66 71.31 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.288 0.477 . . . . 0.54000000000000004 112.288 -170.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -77.72 -6.38 53.77 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.433 0.531 . . . . 2.3700000000000001 112.433 -177.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.426 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 24.6 m -55.8 141.68 37.7 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.704 0.288 . . . . 0.34999999999999998 111.057 177.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.0 p -111.09 161.34 16.02 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.189 0.519 . . . . 0.26000000000000001 110.717 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 64' ' ' ALA . 3.1 m-20 -53.51 -33.82 55.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.378 -0.828 . . . . 0.55000000000000004 110.204 178.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.582 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 27.4 ttpp -61.98 -43.7 98.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.438 -0.801 . . . . 2.2400000000000002 110.894 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -63.35 -39.04 93.44 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.96 0.409 . . . . 0.39000000000000001 110.923 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.2 mt -70.45 -43.91 68.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.245 -0.434 . . . . 0.26000000000000001 110.276 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.421 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 47.7 t-80 -54.3 -55.96 23.16 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.315 -0.857 . . . . 0.69999999999999996 110.851 176.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 35.3 mm-40 -60.54 -44.29 96.25 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.418 0.525 . . . . 2.6800000000000002 112.418 -174.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -65.15 -52.64 53.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.934 0.397 . . . . 0.84999999999999998 111.394 -172.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.598 ' HB2' HD11 ' A' ' 61' ' ' ILE . 84.9 m-85 -72.52 -24.21 61.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.972 -0.558 . . . . 0.23999999999999999 112.125 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HG2' HD12 ' A' ' 61' ' ' ILE . 4.2 mm-40 -60.02 -26.58 66.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.203 0.525 . . . . 1.9299999999999999 111.284 -177.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -72.47 -9.94 59.17 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.189 -0.46 . . . . 2.0600000000000001 111.617 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.403 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 44.8 m-85 -92.0 -23.48 19.52 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.157 0.503 . . . . 0.29999999999999999 109.998 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 158.14 -170.91 35.0 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.693 -0.685 . . . . 1.3600000000000001 111.77 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.498 ' HB3' ' HE3' ' A' ' 84' ' ' LYS . 7.0 m-20 -68.36 128.06 35.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.043 0.449 . . . . 0.65000000000000002 111.761 -176.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.598 HD11 ' HB2' ' A' ' 55' ' ' PHE . 47.9 mt -98.41 134.96 35.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 115.773 -0.649 . . . . 0.22 110.326 170.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -83.83 -43.93 14.87 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.411 -0.588 . . . . 1.5900000000000001 109.411 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -151.12 137.4 18.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.584 -0.735 . . . . 2.2999999999999998 109.872 178.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.482 ' HB2' HG21 ' A' ' 61' ' ' ILE . . . -135.66 115.06 12.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.646 -0.501 . . . . 0.17000000000000001 109.646 177.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.406 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 17.6 m -138.17 148.16 25.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.027 0.442 . . . . 0.32000000000000001 112.131 -175.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.5 t -90.45 133.95 30.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 108.24 -1.022 . . . . 0.23000000000000001 108.24 169.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.903 HG12 ' HA2' ' A' ' 79' ' ' GLY . 39.4 mm -86.01 124.05 39.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.578 0.704 . . . . 0.17000000000000001 111.042 -169.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.536 HG22 ' HA ' ' A' ' 75' ' ' SER . 20.2 p -122.06 144.94 48.61 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.948 -1.024 . . . . 0.34000000000000002 109.005 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.49 135.71 56.63 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.902 0.382 . . . . 0.64000000000000001 111.336 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -60.29 -29.37 68.78 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 112.993 0.738 . . . . 5.2400000000000002 112.993 -175.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -94.23 -22.6 18.31 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.808 -0.558 . . . . 1.6499999999999999 112.393 -172.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.5 p -124.17 -23.64 4.5 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.545 0.688 . . . . 0.70999999999999996 111.133 -170.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 68.43 25.13 6.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 113.818 -1.537 . . . . 1.4199999999999999 110.01 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 68' ' ' THR . 46.9 mmtm -86.04 150.41 24.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.616 -0.72 . . . . 2.2000000000000002 109.672 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.536 ' HA ' HG22 ' A' ' 68' ' ' THR . 19.8 m -78.6 121.8 25.11 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.849 -0.426 . . . . 1.1499999999999999 109.849 -170.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.671 ' HD3' HG22 ' A' ' 67' ' ' ILE . 45.1 mtp85 -86.68 12.06 11.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.871 0.322 . . . . 2.1600000000000001 111.871 -172.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.71 13.37 83.09 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.95 -0.643 . . . . 0.26000000000000001 114.592 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 42.5 p90 -154.88 168.26 27.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 117.171 0.486 . . . . 0.46000000000000002 110.135 177.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.903 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -152.12 -178.76 27.14 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.722 -0.751 . . . . 0.14000000000000001 112.197 -176.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.612 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 54.3 m-85 -133.72 139.83 46.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.905 0.86 . . . . 0.31 112.067 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.491 HG21 ' CD1' ' A' ' 55' ' ' PHE . 23.5 t -123.61 122.1 64.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 113.868 -1.515 . . . . 0.28999999999999998 109.068 172.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.2 m -105.36 110.64 23.07 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 107.951 -1.129 . . . . 0.26000000000000001 107.951 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.646 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 91.2 mmm -83.93 143.02 30.12 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.262 0.553 . . . . 0.42999999999999999 110.517 -175.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.498 ' HE3' ' HB3' ' A' ' 60' ' ' ASP . 26.8 ttmt -69.98 -18.42 63.34 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.839 -1.073 . . . . 1.46 110.159 -178.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -141.55 148.38 39.24 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.148 0.499 . . . . 1.02 111.552 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.459 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 74.3 ttt180 -60.98 -43.12 99.27 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.334 -0.848 . . . . 2.9500000000000002 112.914 -178.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -66.69 -41.78 87.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.875 0.369 . . . . 0.27000000000000002 110.926 -173.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.9 m -62.86 -41.33 99.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.058 -0.519 . . . . 0.55000000000000004 110.1 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.646 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.83 -41.59 99.39 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.405 -0.816 . . . . 0.17000000000000001 111.057 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.08 -39.79 78.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.052 -0.522 . . . . 2.0800000000000001 110.935 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 31.0 mmm180 -58.53 -41.84 86.43 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.064 0.459 . . . . 3.23 109.952 178.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.403 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -60.09 -40.97 91.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.358 -0.837 . . . . 0.20000000000000001 111.551 176.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 62.3 m -82.19 -10.17 59.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.751 0.649 . . . . 0.32000000000000001 112.751 -175.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -64.94 -39.22 93.17 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 122.236 -0.29 . . . . 2.8999999999999999 110.618 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -107.84 98.14 23.92 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 108.416 -0.957 . . . . 1.1200000000000001 108.416 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.41 -5.48 16.1 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 123.306 2.671 . . . . 0.47999999999999998 114.614 -169.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.579 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 85.8 m-20 -134.95 66.37 68.04 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 112.409 0.522 . . . . 0.67000000000000004 112.409 -175.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.0 145.08 35.13 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.956 1.771 . . . . 0.47999999999999998 111.414 174.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.8 mm -85.39 111.74 21.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.895 -0.409 . . . . 0.42999999999999999 109.895 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.3 mt -120.0 121.02 64.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.784 -0.643 . . . . 0.44 109.865 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.5 t70 59.66 34.76 22.25 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.884 0.85 . . . . 1.3300000000000001 109.979 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.38 5.93 78.86 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.474 -0.785 . . . . 0.51000000000000001 112.711 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.635 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 30.7 tpt180 -114.93 139.99 49.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.834 0.349 . . . . 1.97 111.031 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -74.83 120.13 19.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.616 -0.513 . . . . 1.8700000000000001 109.616 173.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.579 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.57 157.84 17.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.649 0.262 . . . . 0.20999999999999999 110.64 177.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -105.35 114.2 28.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.959 -0.756 . . . . 1.53 108.959 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.421 HG22 HG13 ' A' ' 39' ' ' VAL . 47.8 t -118.03 128.15 75.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.935 0.398 . . . . 0.38 111.86 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -157.18 156.43 32.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.56 -0.745 . . . . 0.60999999999999999 109.898 175.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.1 mt -55.95 127.41 30.24 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.778 -0.453 . . . . 0.23000000000000001 109.778 173.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.92 -28.2 69.37 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.264 0.839 . . . . 0.22 113.264 -167.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -14.93 63.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.783 0.325 . . . . 0.44 111.304 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.41 -7.94 52.37 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.474 0.546 . . . . 0.44 112.474 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.14 14.68 1.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.23 -0.986 . . . . 0.38 112.562 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.04 131.46 37.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.946 0.403 . . . . 0.57999999999999996 111.404 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -79.25 135.39 57.85 Favored Pre-proline 0 C--O 1.235 0.339 0 CA-C-N 115.958 -0.565 . . . . 2.02 110.812 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.74 39.52 0.64 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.333 2.688 . . . . 2.1899999999999999 113.235 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 117' ' ' ARG . 9.2 tpt180 -98.18 -12.19 21.96 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.434 -0.95 . . . . 6.5300000000000002 108.434 175.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.6 m 70.77 100.98 0.06 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 114.698 -1.137 . . . . 4.3899999999999997 110.532 -176.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.507 ' HA ' ' H5 ' ' B' ' 7' ' ' ' DC' . 25.8 p-10 -85.05 170.06 13.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.625 -0.509 . . . . 6.0 109.625 178.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' A' ' 119' ' ' ASN . 82.8 t 72.95 114.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.213 0 O-C-N 123.904 0.753 . . . . 5.7199999999999998 109.569 -170.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.422 ' HB3' ' C2 ' ' B' ' 7' ' ' ' DC' . 18.9 pt20 . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.725 -0.655 . . . . 7.9800000000000004 111.166 -174.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.623 0 O5'-C5'-C4' 111.372 0.837 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.432 " H4'" " H5'" ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.62 0 C3'-C2'-C1' 101.033 -1.19 . . . . 2.7999999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.726 " H1'" " O4'" ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-N19 108.482 0.852 . . . . 2.0499999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.726 " O4'" " H1'" ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 P-O3'-C3' 121.201 1.251 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.612 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 C3'-C2'-C1' 101.084 -1.154 . . . . 1.3799999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . 0.563 ' O6 ' ' HE2' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 O4'-C1'-N19 107.087 -0.891 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.507 ' H5 ' ' HA ' ' A' ' 119' ' ' ASN . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 105.355 1.897 . . . . 5.3300000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.801 0 N-CA-C 112.071 -0.412 . . . . 7.0599999999999996 112.071 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.461 ' HB2' HG23 ' A' ' 118' ' ' THR . . . 66.57 78.39 0.26 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.334 0.588 . . . . 4.3399999999999999 110.68 -178.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 55.6 mtt -106.85 -51.44 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.679 -0.692 . . . . 6.9400000000000004 110.6 -176.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.22 -116.15 8.95 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.766 -0.73 . . . . 3.1600000000000001 111.732 -177.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.548 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 48.7 m 58.61 33.86 23.41 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.094 0.473 . . . . 4.6500000000000004 111.624 176.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.443 ' H ' ' HD2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -85.29 -169.36 2.61 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.032 -0.531 . . . . 5.5 111.7 177.017 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -59.59 -18.45 41.28 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.36 0.874 . . . . 2.3900000000000001 113.36 -168.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.686 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 25.8 p -96.0 10.37 37.64 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 112.259 0.466 . . . . 0.76000000000000001 112.259 -171.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.548 ' SD ' ' HA ' ' A' ' 29' ' ' SER . 17.6 mtp -54.53 -51.85 63.86 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.889 0.7 . . . . 0.91000000000000003 112.889 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.95 -3.57 21.59 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 118.12 0.418 . . . . 0.85999999999999999 111.363 -174.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.464 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 13.9 p -106.01 -19.62 13.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.578 -0.283 . . . . 0.25 111.642 -174.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.686 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 60.0 tttm -90.88 113.17 25.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.372 0.606 . . . . 1.28 109.974 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.55 HD11 ' HA ' ' A' ' 89' ' ' ALA . 61.3 mt -98.08 131.52 44.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.39 -0.823 . . . . 0.20999999999999999 110.1 -178.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.422 ' HD2' ' CE2' ' A' ' 80' ' ' PHE . 59.5 t80 -101.97 122.27 43.74 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.259 -0.645 . . . . 0.29999999999999999 109.259 173.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.629 HG13 HG22 ' A' ' 107' ' ' VAL . 4.3 t -106.33 130.33 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 109.14 -0.689 . . . . 0.25 109.14 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.45 148.02 17.0 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 121.004 -0.617 . . . . 0.23999999999999999 111.991 -173.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.1 16.28 76.98 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.844 -0.693 . . . . 0.23999999999999999 112.216 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.416 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 70.3 mt -66.49 129.8 94.14 Favored Pre-proline 0 CA--C 1.513 -0.472 0 CA-C-O 120.787 0.327 . . . . 0.20000000000000001 110.929 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 42' ' ' LEU . 18.5 Cg_endo -59.07 138.91 88.18 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 122.063 1.842 . . . . 0.28000000000000003 109.784 174.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -58.88 -20.88 55.29 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.694 0.627 . . . . 0.54000000000000004 112.694 -171.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -77.86 -15.26 59.18 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.801 0.667 . . . . 2.3700000000000001 112.801 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.572 ' HA ' ' OD2' ' A' ' 101' ' ' ASP . 98.6 m -55.09 138.85 43.32 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.156 0.428 . . . . 0.34999999999999998 112.156 177.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.1 p -117.18 165.78 13.02 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.113 0.482 . . . . 0.26000000000000001 110.938 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.507 ' OD1' ' HA ' ' A' ' 65' ' ' VAL . 5.9 m-20 -53.28 -35.26 59.89 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.739 -0.664 . . . . 0.55000000000000004 110.716 176.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.653 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 38.1 ttpt -66.67 -36.68 83.11 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.804 -0.635 . . . . 2.2400000000000002 110.546 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.448 HG21 ' OD2' ' A' ' 101' ' ' ASP . 23.0 m -62.05 -40.7 96.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.084 0.468 . . . . 0.39000000000000001 110.248 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.3 mt -70.26 -40.38 74.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.948 -0.569 . . . . 0.26000000000000001 109.864 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.549 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 51.2 t-80 -56.63 -57.32 12.91 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.355 -0.839 . . . . 0.69999999999999996 111.117 176.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 15.9 mm-40 -60.26 -46.27 90.41 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.337 0.495 . . . . 2.6800000000000002 112.337 -176.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -70.59 -54.72 10.93 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.308 -0.557 . . . . 0.84999999999999998 111.677 -172.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.528 ' HB2' HD11 ' A' ' 61' ' ' ILE . 65.4 m-85 -71.33 -28.27 63.97 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.59 0.959 . . . . 0.23999999999999999 113.59 -174.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 52' ' ' HIS . 10.1 pt-20 -72.57 -12.56 61.11 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 119.471 -0.891 . . . . 1.9299999999999999 111.189 -175.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -67.7 -8.06 32.13 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.774 0.321 . . . . 2.0600000000000001 110.933 176.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 45.3 m-85 -93.43 -16.68 24.31 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.952 0.406 . . . . 0.29999999999999999 111.028 177.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.96 -109.99 0.38 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.875 -0.679 . . . . 1.3600000000000001 112.35 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -126.24 132.71 51.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.616 0.246 . . . . 0.65000000000000002 111.249 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.528 HD11 ' HB2' ' A' ' 55' ' ' PHE . 37.4 mt -103.39 135.05 42.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.806 0.336 . . . . 0.22 110.656 171.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -86.05 -38.36 17.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.756 -0.656 . . . . 1.5900000000000001 110.584 172.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -155.46 134.59 12.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.803 -0.635 . . . . 2.2999999999999998 109.783 -174.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.41 116.43 13.31 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.247 -0.279 . . . . 0.17000000000000001 110.247 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.507 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 25.4 m -136.31 141.93 39.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.863 0.363 . . . . 0.32000000000000001 111.525 -175.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.5 t -96.28 134.26 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.875 -1.157 . . . . 0.23000000000000001 107.875 169.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.95 HG12 ' HA2' ' A' ' 79' ' ' GLY . 31.0 mm -86.39 124.37 40.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.724 0.773 . . . . 0.17000000000000001 111.156 -169.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.585 HG22 ' HA ' ' A' ' 75' ' ' SER . 41.4 p -120.92 146.21 46.87 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.622 -1.172 . . . . 0.34000000000000002 108.633 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -56.66 130.89 47.26 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.711 -0.396 . . . . 0.64000000000000001 111.112 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.489 ' HG2' " H2'" ' B' ' 7' ' ' ' DC' . 0.0 OUTLIER -64.22 -16.24 61.59 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.286 1.217 . . . . 5.2400000000000002 114.286 -174.227 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -92.12 -52.07 4.88 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.579 0.627 . . . . 1.6499999999999999 111.625 178.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.0 p -90.22 -21.12 22.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.35 -0.387 . . . . 0.70999999999999996 112.027 -174.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 66.55 30.76 8.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.297 -0.865 . . . . 1.4199999999999999 110.144 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -104.42 141.19 36.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.721 -0.672 . . . . 2.2000000000000002 109.54 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.585 ' HA ' HG22 ' A' ' 68' ' ' THR . 3.4 p -60.44 133.97 56.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.205 0.526 . . . . 1.1499999999999999 112.018 -174.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -94.66 13.28 24.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.588 -0.733 . . . . 2.1600000000000001 111.571 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.473 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 74.02 14.01 80.59 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 115.753 -0.658 . . . . 0.26000000000000001 114.368 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -151.31 168.26 25.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 117.52 0.66 . . . . 0.46000000000000002 110.34 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.95 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -160.05 -176.89 32.63 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.712 -0.756 . . . . 0.14000000000000001 113.01 -176.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.655 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 50.0 m-85 -135.9 139.37 43.27 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.753 0.787 . . . . 0.31 112.208 -176.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 64.6 t -124.28 133.37 69.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.387 -1.279 . . . . 0.28999999999999998 109.823 171.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -107.63 107.78 18.75 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 107.865 -1.161 . . . . 0.26000000000000001 107.865 171.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.586 ' SD ' ' HA ' ' A' ' 89' ' ' ALA . 18.7 mtp -88.17 149.53 23.83 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.294 -0.562 . . . . 0.42999999999999999 109.85 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -71.75 -17.54 62.19 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.299 -0.864 . . . . 1.46 111.24 -173.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -143.46 149.74 38.01 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.1 0.476 . . . . 1.02 110.605 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -60.51 -41.58 94.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.484 -0.78 . . . . 2.9500000000000002 111.788 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.673 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -63.46 -41.54 98.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.758 0.313 . . . . 0.27000000000000002 110.967 -175.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 m -63.88 -44.32 93.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.97 0.414 . . . . 0.55000000000000004 109.915 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.586 ' HA ' ' SD ' ' A' ' 83' ' ' MET . . . -63.58 -42.66 98.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.521 -0.763 . . . . 0.17000000000000001 111.015 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -69.45 -39.12 77.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.817 -0.629 . . . . 2.0800000000000001 111.602 -175.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.673 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 21.6 mmm180 -64.48 -37.66 88.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.47 -0.492 . . . . 3.23 109.679 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -62.87 -39.45 94.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.79 -0.641 . . . . 0.20000000000000001 110.886 175.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 67.9 m -83.09 -9.63 59.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.32000000000000001 112.009 -177.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 94' ' ' LYS . 21.4 tptp -64.67 -31.37 72.56 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 121.109 -0.236 . . . . 2.8999999999999999 111.442 -172.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -113.32 103.36 55.52 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 107.683 -1.228 . . . . 1.1200000000000001 107.683 170.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.477 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 54.1 Cg_endo -68.9 7.25 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.865 2.377 . . . . 0.47999999999999998 114.02 -171.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.754 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 82.5 m-20 -132.79 60.24 48.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 112.763 0.653 . . . . 0.67000000000000004 112.763 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.13 149.28 35.96 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.375 2.05 . . . . 0.47999999999999998 112.342 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.2 mm -81.68 111.62 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.442 -0.344 . . . . 0.42999999999999999 110.42 174.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.4 mt -125.51 121.46 60.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.377 -0.374 . . . . 0.44 110.218 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.572 ' OD2' ' HA ' ' A' ' 46' ' ' THR . 0.2 OUTLIER 58.54 40.84 23.36 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.804 -0.635 . . . . 1.3300000000000001 111.202 179.285 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.88 13.58 80.65 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 115.669 -0.696 . . . . 0.51000000000000001 113.81 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -133.45 133.94 42.92 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.513 -0.404 . . . . 1.97 110.563 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -73.1 123.48 23.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.309 -0.626 . . . . 1.8700000000000001 109.309 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.754 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -108.6 161.28 15.22 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.828 -0.624 . . . . 0.20999999999999999 111.148 -173.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 5.5 m-20 -106.05 113.48 27.04 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.752 -0.833 . . . . 1.53 108.752 176.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.629 HG22 HG13 ' A' ' 39' ' ' VAL . 43.8 t -125.41 142.37 42.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.183 0.516 . . . . 0.38 112.375 -173.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -157.55 158.15 35.11 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.376 -0.829 . . . . 0.60999999999999999 109.785 173.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.15 127.31 28.59 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 109.485 -0.561 . . . . 0.23000000000000001 109.485 173.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.77 -31.01 66.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.873 1.064 . . . . 0.22 113.873 -167.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -68.27 -18.82 64.63 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.858 -0.337 . . . . 0.44 111.643 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.1 mt -73.98 -8.16 55.09 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.702 0.63 . . . . 0.44 112.702 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -150.95 13.38 0.85 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.452 -0.88 . . . . 0.38 111.95 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.17 131.88 45.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.007 0.432 . . . . 0.57999999999999996 111.304 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -80.29 148.47 67.07 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.745 -0.661 . . . . 2.02 110.394 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.96 123.71 13.79 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.689 2.259 . . . . 2.1899999999999999 112.169 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -119.15 81.4 1.7 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.848 -0.615 . . . . 6.5300000000000002 109.969 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.461 HG23 ' HB2' ' A' ' 26' ' ' ALA . 1.9 p -87.44 97.57 10.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.634 -0.712 . . . . 4.3899999999999997 110.754 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 67.91 95.69 0.06 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.535 0.683 . . . . 6.0 111.185 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 59.3 t -82.88 106.59 13.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.526 -0.761 . . . . 5.7199999999999998 110.367 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 . . . . . 0 C--O 1.252 1.186 0 CA-C-N 115.768 -0.651 . . . . 7.9800000000000004 110.381 177.912 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O5'-C5'-C4' 111.387 0.848 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.473 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.645 0 P-O3'-C3' 120.947 1.039 . . . . 2.7999999999999998 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.709 0 C3'-C2'-C1' 101.043 -1.184 . . . . 2.0499999999999998 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 C4'-C3'-C2' 105.029 1.829 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.655 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 C3'-C2'-C1' 100.942 -1.255 . . . . 1.3799999999999999 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . 0.479 ' N7 ' ' HE2' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.43 -0.613 0 C5'-C4'-C3' 115.912 0.808 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.489 " H2'" ' HG2' ' A' ' 70' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-C2' 106.793 0.63 . . . . 5.3300000000000001 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.524 -0.63 . . . . 7.0599999999999996 111.524 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.49 -41.28 72.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 117.142 0.471 . . . . 4.3399999999999999 111.481 -178.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.743 ' HG2' ' H ' ' A' ' 28' ' ' GLY . 36.0 ttm -145.42 -163.19 1.66 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.303 -0.629 . . . . 6.9400000000000004 109.303 -179.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.743 ' H ' ' HG2' ' A' ' 27' ' ' MET . . . -73.59 10.27 6.96 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.353 -0.451 . . . . 3.1600000000000001 113.76 -174.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -79.52 35.42 0.29 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.292 0.567 . . . . 4.6500000000000004 110.903 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.708 ' HA ' ' HG3' ' A' ' 33' ' ' MET . 1.6 tmt_? -76.77 -26.05 54.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.797 -0.638 . . . . 5.5 110.52 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.11 -28.55 69.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.836 0.826 . . . . 2.3900000000000001 109.705 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.902 HG22 ' HB2' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -96.89 4.35 51.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.489 -1.232 . . . . 0.76000000000000001 112.807 177.699 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.708 ' HG3' ' HA ' ' A' ' 30' ' ' ARG . 12.6 mtp -54.25 -50.35 67.4 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 113.599 0.963 . . . . 0.91000000000000003 113.599 -173.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -104.27 -0.82 27.86 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.878 -0.513 . . . . 0.85999999999999999 110.635 -172.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.0 p -107.67 -17.51 14.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.153 -0.476 . . . . 0.25 111.345 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.902 ' HB2' HG22 ' A' ' 32' ' ' THR . 86.8 tttt -91.4 113.77 26.12 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.281 0.562 . . . . 1.28 110.761 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.553 HD11 ' HA ' ' A' ' 89' ' ' ALA . 70.5 mt -101.24 134.48 41.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.4 -0.818 . . . . 0.20999999999999999 110.138 178.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -98.02 125.08 42.81 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.104 -0.702 . . . . 0.29999999999999999 109.104 174.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 t -106.34 125.84 62.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.714 -0.476 . . . . 0.25 109.714 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.69 150.19 17.79 Favored Glycine 0 N--CA 1.445 -0.719 0 CA-C-N 115.668 -0.696 . . . . 0.23999999999999999 111.814 -174.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.596 ' HA2' ' O4 ' ' B' ' 3' ' ' ' DT' . . . 88.62 11.8 65.52 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.401 -0.904 . . . . 0.23999999999999999 112.522 178.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.3 mt -73.24 138.03 78.59 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-O 120.98 0.419 . . . . 0.20000000000000001 111.909 -175.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 36.9 Cg_endo -69.24 147.75 66.92 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.102 1.868 . . . . 0.28000000000000003 110.271 172.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -64.48 -16.67 62.88 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.814 0.302 . . . . 0.54000000000000004 111.814 -174.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -77.75 -21.21 52.12 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.884 0.327 . . . . 2.3700000000000001 111.884 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.3 m -56.06 134.0 52.29 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 120.836 0.351 . . . . 0.34999999999999998 111.535 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.7 p -111.31 163.67 13.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.26000000000000001 110.184 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.57 -35.86 61.26 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.923 -0.581 . . . . 0.55000000000000004 110.526 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -67.3 -37.57 83.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.713 -0.676 . . . . 2.2400000000000002 110.623 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.9 m -63.71 -41.57 98.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 0.39000000000000001 111.06 -178.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.6 mt -70.49 -42.98 70.65 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.381 -0.6 . . . . 0.26000000000000001 109.381 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -56.19 -56.01 26.15 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.227 -0.897 . . . . 0.69999999999999996 110.204 176.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.671 ' HA ' ' OE2' ' A' ' 56' ' ' GLU . 2.0 pt-20 -61.37 -37.32 82.95 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.617 0.599 . . . . 2.6800000000000002 112.617 -176.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -70.9 -53.92 13.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.069 0.461 . . . . 0.84999999999999998 110.91 -177.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.454 ' HB2' HD11 ' A' ' 61' ' ' ILE . 68.8 m-85 -73.04 -27.91 62.03 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.021 0.748 . . . . 0.23999999999999999 113.021 -177.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.671 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 11.8 pt-20 -64.51 -18.32 64.7 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.75 -0.38 . . . . 1.9299999999999999 111.091 -175.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -66.96 -8.09 27.06 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.97 0.359 . . . . 2.0600000000000001 111.97 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -92.11 -9.15 43.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.511 0.196 . . . . 0.29999999999999999 111.164 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.22 -104.82 0.26 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.71 -0.757 . . . . 1.3600000000000001 112.508 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.59 ' HB3' ' HE3' ' A' ' 84' ' ' LYS . 5.0 m-20 -130.08 139.42 50.95 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.819 0.342 . . . . 0.65000000000000002 111.34 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.481 HG12 ' SD ' ' A' ' 83' ' ' MET . 43.4 mt -111.77 136.64 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.055 -0.52 . . . . 0.22 110.547 174.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -80.66 -43.99 19.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.281 0.563 . . . . 1.5900000000000001 109.63 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -160.39 140.14 11.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 114.924 -1.034 . . . . 2.2999999999999998 109.89 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.414 ' HB2' HG21 ' A' ' 61' ' ' ILE . . . -136.39 118.13 15.06 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.182 -0.303 . . . . 0.17000000000000001 110.182 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.8 m -136.59 146.14 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.119 0.485 . . . . 0.32000000000000001 111.904 -175.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.4 t -94.25 134.09 32.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 107.352 -1.351 . . . . 0.23000000000000001 107.352 168.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.829 HG12 ' HA2' ' A' ' 79' ' ' GLY . 26.8 mm -85.29 126.26 40.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.57 0.7 . . . . 0.17000000000000001 110.926 -168.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.518 HG22 ' HA ' ' A' ' 75' ' ' SER . 41.2 p -120.91 150.11 41.58 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 114.788 -1.096 . . . . 0.34000000000000002 108.431 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -55.89 129.4 39.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.886 0.374 . . . . 0.64000000000000001 111.403 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -58.93 -21.8 58.71 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.832 0.679 . . . . 5.2400000000000002 112.832 -175.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -95.19 -54.93 3.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.796 0.332 . . . . 1.6499999999999999 111.685 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.4 p -92.84 -18.6 22.65 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.175 0.435 . . . . 0.70999999999999996 112.175 -173.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.407 ' C ' ' HB ' ' A' ' 68' ' ' THR . 76.4 mt-30 68.03 26.38 7.32 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.224 -0.898 . . . . 1.4199999999999999 110.892 178.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -86.09 134.12 33.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.332 -0.849 . . . . 2.2000000000000002 109.621 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.518 ' HA ' HG22 ' A' ' 68' ' ' THR . 6.6 m -58.85 127.92 34.62 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.143 0.277 . . . . 1.1499999999999999 110.932 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -92.35 13.25 19.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.328 0.585 . . . . 2.1600000000000001 111.28 -176.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.583 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 73.87 11.75 81.05 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.662 -0.78 . . . . 0.26000000000000001 114.714 177.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -146.9 168.08 22.35 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 117.334 0.567 . . . . 0.46000000000000002 109.631 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.829 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -156.83 -179.07 31.51 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.239 -0.982 . . . . 0.14000000000000001 112.746 -176.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.619 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 60.3 m-85 -132.49 138.16 47.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.745 0.784 . . . . 0.31 111.703 -179.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.3 t -121.28 124.38 71.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 114.657 -1.156 . . . . 0.28999999999999998 109.423 172.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.4 m -106.8 109.71 21.68 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 107.672 -1.233 . . . . 0.26000000000000001 107.672 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.501 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.8 mmm -83.43 146.5 28.39 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.456 -0.572 . . . . 0.42999999999999999 109.456 -176.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.59 ' HE3' ' HB3' ' A' ' 60' ' ' ASP . 36.8 ttmt -70.55 -18.38 62.92 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.23 -0.895 . . . . 1.46 109.867 -177.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.86 146.57 37.7 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.398 0.618 . . . . 1.02 111.182 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -64.03 -43.21 96.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.1 -0.954 . . . . 2.9500000000000002 113.065 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -63.28 -40.24 96.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.993 0.425 . . . . 0.27000000000000002 110.626 -177.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.3 m -62.47 -43.2 99.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.672 -0.695 . . . . 0.55000000000000004 110.186 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.553 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -63.65 -39.22 93.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.353 -0.84 . . . . 0.17000000000000001 111.266 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -67.98 -39.49 83.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.042 -0.526 . . . . 2.0800000000000001 110.74 -177.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 18.8 mmt180 -60.53 -39.19 86.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.949 0.404 . . . . 3.23 110.299 179.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.24 99.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.20000000000000001 111.406 175.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 57.6 m -81.23 -14.84 57.07 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.179 0.437 . . . . 0.32000000000000001 112.179 -175.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -65.87 -35.28 80.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.7 0.286 . . . . 2.8999999999999999 110.557 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -107.92 96.45 17.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.601 -0.888 . . . . 1.1200000000000001 108.601 172.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.477 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.4 Cg_endo -69.92 -4.08 13.42 Favored 'Trans proline' 0 N--CA 1.467 -0.071 0 C-N-CA 123.086 2.524 . . . . 0.47999999999999998 114.823 -168.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 85.0 m-20 -126.64 62.53 49.8 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.671 0.619 . . . . 0.67000000000000004 112.671 -175.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -75.46 142.35 26.41 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.103 1.869 . . . . 0.47999999999999998 112.016 175.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 49.8 mm -84.76 111.05 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.445 -0.343 . . . . 0.42999999999999999 110.109 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.6 mt -122.79 121.57 63.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.058 -0.519 . . . . 0.44 110.1 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.9 t70 60.62 32.67 20.39 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.835 0.826 . . . . 1.3300000000000001 109.825 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.08 4.21 88.69 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 115.414 -0.812 . . . . 0.51000000000000001 112.913 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.477 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 20.3 tpt180 -116.51 138.69 51.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.604 0.24 . . . . 1.97 110.954 -178.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -83.24 120.09 25.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.166 0.508 . . . . 1.8700000000000001 110.074 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.46 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.18 161.2 14.98 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.174 -0.921 . . . . 0.20999999999999999 111.456 -175.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 59.4 m-20 -107.17 115.46 30.21 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.269 -1.011 . . . . 1.53 108.269 175.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.8 t -113.7 126.18 71.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.003 0.43 . . . . 0.38 112.009 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -154.57 155.23 34.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.529 -0.759 . . . . 0.60999999999999999 109.818 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.8 mt -55.31 130.47 42.51 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 110.06 -0.348 . . . . 0.23000000000000001 110.06 174.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.07 -33.7 73.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.677 0.621 . . . . 0.22 112.677 -169.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -70.38 -16.4 62.96 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.849 -0.34 . . . . 0.44 110.976 -175.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.89 -17.25 63.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.182 -0.463 . . . . 0.44 111.94 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -139.86 14.79 3.1 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 111.104 -0.798 . . . . 0.38 111.104 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.91 134.23 50.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.363 -0.419 . . . . 0.57999999999999996 110.521 -176.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -81.57 128.76 68.39 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.695 -0.684 . . . . 2.02 111.154 -175.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.65 20.69 0.94 Allowed 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.997 2.464 . . . . 2.1899999999999999 111.878 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.22 119.71 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.582 -0.735 . . . . 6.5300000000000002 109.456 178.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.7 t -151.6 -167.26 2.74 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.998 -0.741 . . . . 4.3899999999999997 108.998 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -58.95 -71.41 0.12 Allowed 'General case' 0 C--N 1.331 -0.239 0 O-C-N 123.281 0.363 . . . . 6.0 111.154 -178.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.46 HG12 ' HG2' ' A' ' 121' ' ' GLN . 64.0 t 68.52 -63.66 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 122.982 0.513 . . . . 5.7199999999999998 111.15 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.46 ' HG2' HG12 ' A' ' 120' ' ' VAL . 81.6 mm-40 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.449 -0.786 . . . . 7.9800000000000004 109.633 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.636 0 O5'-C5'-C4' 111.669 1.049 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.583 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-N19 109.261 1.826 . . . . 2.7999999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.596 ' O4 ' ' HA2' ' A' ' 41' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.625 0 O4'-C1'-N19 106.717 -1.354 . . . . 2.0499999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.592 " H1'" ' O2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 C4'-C3'-C2' 105.462 2.262 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.619 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C1'-N19 109.194 1.743 . . . . 1.3799999999999999 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . 0.59 ' N7 ' ' HE3' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.432 -0.524 0 O5'-C5'-C4' 111.567 0.977 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-C2' 107.475 1.25 . . . . 5.3300000000000001 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.851 0 N-CA-C 112.595 -0.202 . . . . 7.0599999999999996 112.595 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -163.45 104.31 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.202 -0.295 . . . . 4.3399999999999999 110.202 -179.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 79.1 mtp -88.86 -61.88 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.073 0.464 . . . . 6.9400000000000004 111.483 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.77 -179.91 19.79 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 110.104 -1.198 . . . . 3.1600000000000001 110.104 -169.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 p 42.94 48.78 5.14 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.272 0.629 . . . . 4.6500000000000004 111.616 -178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.483 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 19.8 mmt180 -107.81 166.78 10.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.605 -0.725 . . . . 5.5 110.79 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -59.53 -27.7 66.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.6 -0.727 . . . . 2.3900000000000001 110.969 -174.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.602 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 37.1 p -102.04 -2.32 29.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.633 -0.712 . . . . 0.76000000000000001 112.477 -177.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 27.4 ttt -52.98 -52.86 56.84 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.79 0.663 . . . . 0.91000000000000003 112.79 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.515 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 99.0 m-85 -102.74 -0.18 31.98 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.7 -0.4 . . . . 0.85999999999999999 111.412 -176.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.487 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 40.8 p -109.85 -21.67 12.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.104 0.409 . . . . 0.25 112.104 -174.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.602 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 86.4 tttt -85.27 113.69 21.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.162 0.506 . . . . 1.28 110.523 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.487 HD11 ' HA ' ' A' ' 89' ' ' ALA . 67.4 mt -103.36 134.75 43.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.473 -0.785 . . . . 0.20999999999999999 110.654 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -99.41 126.29 45.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.57 -0.53 . . . . 0.29999999999999999 109.57 174.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.501 HG13 HG22 ' A' ' 107' ' ' VAL . 5.0 t -109.41 130.32 62.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.253 -0.431 . . . . 0.25 109.985 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.41 159.35 21.39 Favored Glycine 0 C--O 1.226 -0.406 0 CA-C-N 116.047 -0.524 . . . . 0.23999999999999999 112.131 -174.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.2 11.39 84.95 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.964 -0.636 . . . . 0.23999999999999999 112.761 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.1 mt -68.29 135.56 91.19 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 120.69 0.281 . . . . 0.20000000000000001 111.158 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.496 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 20.5 Cg_endo -63.1 148.19 93.53 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 121.768 1.646 . . . . 0.28000000000000003 110.312 174.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -65.66 -26.23 67.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.785 0.326 . . . . 0.54000000000000004 111.184 -171.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -78.69 -12.48 60.02 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.867 0.692 . . . . 2.3700000000000001 112.867 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.496 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 95.0 m -56.33 139.23 49.09 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.074 0.397 . . . . 0.34999999999999998 111.864 175.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.2 p -111.75 163.0 14.64 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 116.332 -0.394 . . . . 0.26000000000000001 111.132 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.51 -36.22 61.5 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.556 -0.747 . . . . 0.55000000000000004 110.712 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -67.34 -35.74 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.871 -0.604 . . . . 2.2400000000000002 110.876 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.548 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 8.3 m -65.81 -39.09 90.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 0.39000000000000001 110.989 178.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.8 mt -70.57 -41.32 72.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.411 0.624 . . . . 0.26000000000000001 109.401 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -54.9 -55.42 30.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.379 -1.282 . . . . 0.69999999999999996 110.119 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 50' ' ' THR . 8.9 pt-20 -59.57 -42.53 92.7 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.683 0.623 . . . . 2.6800000000000002 112.683 -175.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.462 ' OH ' ' HB3' ' A' ' 98' ' ' PRO . 64.1 t80 -70.19 -53.17 18.28 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.68 -0.408 . . . . 0.84999999999999998 111.562 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.454 ' HB2' HD11 ' A' ' 61' ' ' ILE . 75.6 m-85 -72.38 -28.08 62.78 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.48 0.919 . . . . 0.23999999999999999 113.48 -175.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 12.3 pt-20 -67.33 -17.92 64.95 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.461 -0.496 . . . . 1.9299999999999999 110.824 -175.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -67.02 -9.33 37.89 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.345 -0.389 . . . . 2.0600000000000001 111.741 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -91.69 -11.6 36.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.809 0.337 . . . . 0.29999999999999999 110.982 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 157.62 -105.53 0.27 Allowed Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.481 -0.866 . . . . 1.3600000000000001 112.838 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -126.49 132.16 51.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.618 0.246 . . . . 0.65000000000000002 111.204 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.454 HD11 ' HB2' ' A' ' 55' ' ' PHE . 34.7 mt -103.18 139.5 23.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.993 0.425 . . . . 0.22 110.936 172.267 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -81.63 -47.37 13.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.497 -0.774 . . . . 1.5900000000000001 109.989 172.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -157.15 140.73 15.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.487 -0.779 . . . . 2.2999999999999998 110.401 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.98 116.21 13.49 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.848 -0.427 . . . . 0.17000000000000001 109.848 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.83 149.69 26.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.945 0.403 . . . . 0.32000000000000001 111.897 -174.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -98.79 134.31 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.881 -1.155 . . . . 0.23000000000000001 107.881 169.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.963 HG12 ' HA2' ' A' ' 79' ' ' GLY . 22.4 mm -84.34 126.52 40.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.548 0.689 . . . . 0.17000000000000001 111.385 -167.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.533 HG22 ' HA ' ' A' ' 75' ' ' SER . 39.0 p -125.18 146.29 49.57 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.37 -1.286 . . . . 0.34000000000000002 108.188 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 73' ' ' GLN . 15.6 t70 -57.59 136.43 56.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.668 0.271 . . . . 0.64000000000000001 111.092 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -57.69 -30.61 65.61 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.819 0.674 . . . . 5.2400000000000002 112.819 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -94.49 -54.53 3.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.215 0.45 . . . . 1.6499999999999999 112.215 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 p -91.39 -19.03 23.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.097 0.475 . . . . 0.70999999999999996 111.707 -175.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 48.8 mt-30 68.03 26.79 7.22 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.077 -0.965 . . . . 1.4199999999999999 111.177 173.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -87.15 131.65 34.1 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.459 -0.571 . . . . 2.2000000000000002 109.459 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.533 ' HA ' HG22 ' A' ' 68' ' ' THR . 13.7 m -58.8 128.83 39.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.895 0.378 . . . . 1.1499999999999999 110.786 176.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -98.25 13.44 31.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.035 -0.53 . . . . 2.1600000000000001 111.414 -173.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.521 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 74.08 16.87 79.45 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.73 -0.748 . . . . 0.26000000000000001 114.312 178.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.443 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 37.5 p90 -153.3 167.65 28.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.635 0.718 . . . . 0.46000000000000002 110.39 175.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.963 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -158.24 -173.95 27.32 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.512 -0.851 . . . . 0.14000000000000001 112.864 -175.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.55 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 49.8 m-85 -133.97 145.45 49.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.662 0.744 . . . . 0.31 112.172 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.1 t -130.99 127.51 61.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 114.459 -1.246 . . . . 0.28999999999999998 109.756 171.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.5 m -104.9 110.44 22.82 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.211 -1.033 . . . . 0.26000000000000001 108.211 175.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.567 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.6 mmm -84.49 149.48 25.91 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.247 0.546 . . . . 0.42999999999999999 110.658 -178.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -75.26 -18.04 60.17 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.194 -0.912 . . . . 1.46 111.181 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -144.51 149.39 35.84 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.271 -0.422 . . . . 1.02 110.483 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.515 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 47.1 ttt180 -63.11 -42.27 99.53 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.031 -0.532 . . . . 2.9500000000000002 111.633 -177.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.635 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -61.61 -44.38 97.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.307 . . . . 0.27000000000000002 110.713 -173.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.5 m -63.5 -42.39 98.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.174 -0.466 . . . . 0.55000000000000004 110.152 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.567 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.76 -44.84 95.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.416 0.627 . . . . 0.17000000000000001 111.156 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -70.4 -35.15 73.28 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.538 -0.756 . . . . 2.0800000000000001 111.392 -175.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.635 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 17.5 mmt180 -60.76 -39.88 90.42 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.415 -0.587 . . . . 3.23 109.415 175.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.73 78.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.538 -0.755 . . . . 0.20000000000000001 111.028 175.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.0 m -81.34 -10.83 59.48 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 111.588 0.218 . . . . 0.32000000000000001 111.588 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.484 ' HD2' ' O ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -65.61 -39.66 91.77 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.33 -0.619 . . . . 2.8999999999999999 109.33 177.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -101.1 93.81 3.38 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.081 -0.711 . . . . 1.1200000000000001 109.081 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.511 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 60.4 Cg_endo -69.99 -12.15 31.89 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.762 2.308 . . . . 0.47999999999999998 113.759 -170.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.673 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 88.3 m-20 -130.01 68.25 80.64 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 112.285 0.476 . . . . 0.67000000000000004 112.285 -176.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.462 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 9.7 Cg_exo -73.73 139.39 27.81 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.967 2.445 . . . . 0.47999999999999998 112.035 174.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.4 mm -84.71 111.18 20.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.008 0.432 . . . . 0.42999999999999999 110.272 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.5 mt -121.96 121.66 64.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.788 -0.642 . . . . 0.44 110.045 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.435 ' OD2' HG21 ' A' ' 50' ' ' THR . 32.1 m-20 59.45 33.15 22.19 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.531 -0.759 . . . . 1.3300000000000001 110.481 -177.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.3 15.2 78.92 Favored Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.704 -0.68 . . . . 0.51000000000000001 113.441 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.435 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 24.4 tpt180 -120.03 143.82 47.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.385 -0.48 . . . . 1.97 110.486 178.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -78.22 120.44 23.01 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.292 -0.413 . . . . 1.8700000000000001 110.081 176.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.673 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.49 158.41 16.93 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.863 0.364 . . . . 0.20999999999999999 110.763 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.511 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 5.6 m-20 -112.65 115.73 29.04 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.131 -0.692 . . . . 1.53 109.131 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.501 HG22 HG13 ' A' ' 39' ' ' VAL . 59.5 t -115.37 132.65 64.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 112.291 0.478 . . . . 0.38 112.291 -176.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -151.79 152.84 33.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.382 -0.827 . . . . 0.60999999999999999 109.846 173.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.402 HD23 HG12 ' A' ' 37' ' ' ILE . 86.0 mt -55.57 131.03 45.25 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.089 -0.708 . . . . 0.23000000000000001 109.089 172.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.36 -36.22 70.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.046 0.758 . . . . 0.22 113.046 -168.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -71.89 -13.15 61.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.901 0.382 . . . . 0.44 111.504 -175.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.6 -12.54 60.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.558 -0.292 . . . . 0.44 111.198 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.69 13.8 1.55 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 0.38 112.026 -178.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.73 126.15 30.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.982 0.42 . . . . 0.57999999999999996 110.227 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -83.02 148.82 57.71 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.84 -0.618 . . . . 2.02 111.121 -176.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.69 161.37 36.83 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 123.472 2.781 . . . . 2.1899999999999999 112.931 -172.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.446 ' HA ' ' HD2' ' A' ' 117' ' ' ARG . 19.4 tpt180 62.9 36.79 12.55 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 122.301 1.048 . . . . 6.5300000000000002 109.835 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.2 t -76.92 -2.02 31.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.088 -0.96 . . . . 4.3899999999999997 110.341 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -70.07 99.06 1.4 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.747 -0.66 . . . . 6.0 109.832 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.521 ' H ' ' N4 ' ' B' ' 7' ' ' ' DC' . 59.5 t -98.01 -53.46 7.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.476 -0.329 . . . . 5.7199999999999998 111.343 -176.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.228 -0.892 . . . . 7.9800000000000004 111.085 -177.772 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 O5'-C5'-C4' 111.84 1.172 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.521 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 P-O3'-C3' 120.625 0.771 . . . . 2.7999999999999998 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 O4'-C1'-N19 109.108 1.635 . . . . 2.0499999999999998 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C1'-O4'-C4' 106.315 -2.418 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.55 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.43 -0.623 0 C3'-C2'-C1' 100.414 -1.633 . . . . 1.3799999999999999 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . 0.59 ' N7 ' ' HE3' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C4'-C3' 106.267 0.667 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.521 ' N4 ' ' H ' ' A' ' 120' ' ' VAL . . . . . . . . 0 O4'--C1' 1.411 -0.654 0 C1'-O4'-C4' 105.772 -2.806 . . . . 5.3300000000000001 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.749 ' N ' ' HG1' ' A' ' 32' ' ' THR . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 111.178 -0.769 . . . . 7.0599999999999996 111.178 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.28 136.53 36.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.364 -0.606 . . . . 4.3399999999999999 109.364 174.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.1 mmt 69.54 92.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 O-C-N 124.0 0.812 . . . . 6.9400000000000004 111.976 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.56 -88.82 1.46 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.874 -0.679 . . . . 3.1600000000000001 113.98 170.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -55.88 115.3 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.382 0.512 . . . . 4.6500000000000004 112.382 -170.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.581 ' HA ' ' HG3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -98.31 -13.77 20.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.453 -0.34 . . . . 5.5 111.77 -179.597 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.41 -27.31 68.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.082 0.467 . . . . 2.3900000000000001 110.604 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.749 ' HG1' ' N ' ' A' ' 25' ' ' GLY . 0.8 OUTLIER -100.57 0.66 39.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.686 -0.688 . . . . 0.76000000000000001 112.512 -179.066 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.581 ' HG3' ' HA ' ' A' ' 30' ' ' ARG . 61.7 mtp -54.07 -53.26 55.62 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.982 0.734 . . . . 0.91000000000000003 112.982 -177.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.606 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 77.5 m-85 -105.91 -0.96 24.67 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.555 -0.458 . . . . 0.85999999999999999 111.398 -176.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.604 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 41.5 p -101.52 -22.53 14.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.742 0.275 . . . . 0.25 111.742 -176.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HE3' ' CE2' ' A' ' 80' ' ' PHE . 35.6 tttp -86.65 112.56 21.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.012 0.434 . . . . 1.28 109.9 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.637 HD11 ' HA ' ' A' ' 89' ' ' ALA . 62.7 mt -100.01 130.89 48.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 116.054 -0.521 . . . . 0.20999999999999999 110.471 178.012 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -104.82 128.94 53.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.564 -0.532 . . . . 0.29999999999999999 109.564 174.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.626 HG13 HG22 ' A' ' 107' ' ' VAL . 3.6 t -113.01 132.5 61.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.848 -0.426 . . . . 0.25 109.848 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.85 151.43 18.21 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.982 -0.554 . . . . 0.23999999999999999 111.798 -175.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.79 14.31 79.89 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.639 -0.791 . . . . 0.23999999999999999 112.545 177.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.7 mt -66.54 130.0 94.12 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 120.626 0.25 . . . . 0.20000000000000001 110.893 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 18.8 Cg_endo -58.58 148.13 83.28 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.121 1.88 . . . . 0.28000000000000003 110.378 173.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -64.56 -13.69 54.12 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.941 -0.303 . . . . 0.54000000000000004 111.628 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.545 ' HB2' ' OD1' ' A' ' 101' ' ' ASP . 14.1 m80 -75.95 -22.33 56.07 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 121.026 -0.27 . . . . 2.3700000000000001 111.382 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 m -55.06 127.87 31.07 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.97 0.414 . . . . 0.34999999999999998 111.776 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.1 p -111.35 161.14 16.38 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.712 -0.676 . . . . 0.26000000000000001 109.46 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.409 ' OD1' ' HA ' ' A' ' 65' ' ' VAL . 2.4 m-20 -53.99 -34.34 59.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.039 -0.528 . . . . 0.55000000000000004 110.779 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -60.19 -46.8 88.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.336 -0.847 . . . . 2.2400000000000002 111.135 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.7 m -64.78 -38.15 90.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.411 -0.359 . . . . 0.39000000000000001 111.334 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.2 mt -69.12 -45.46 70.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.365 -0.606 . . . . 0.26000000000000001 109.365 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 22.3 t-80 -55.61 -55.03 36.86 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.146 -0.934 . . . . 0.69999999999999996 110.622 176.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.668 ' HG3' ' N ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -62.02 -37.95 86.81 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.206 0.447 . . . . 2.6800000000000002 112.206 -175.822 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.668 ' N ' ' HG3' ' A' ' 53' ' ' GLU . 15.4 t80 -70.53 -53.65 15.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 0.84999999999999998 111.404 -174.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.526 ' HB2' HD11 ' A' ' 61' ' ' ILE . 84.5 m-85 -72.92 -27.67 62.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.643 0.609 . . . . 0.23999999999999999 112.643 -178.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.484 ' HG2' HD12 ' A' ' 61' ' ' ILE . 1.5 mm-40 -62.79 -17.74 61.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.937 0.399 . . . . 1.9299999999999999 110.926 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -67.84 -17.41 64.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.379 -0.373 . . . . 2.0600000000000001 111.07 174.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -92.38 -24.37 18.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 0.29999999999999999 110.601 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.25 -172.65 38.41 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.947 -0.644 . . . . 1.3600000000000001 112.189 -177.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.93 130.08 41.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.043 0.449 . . . . 0.65000000000000002 111.401 -176.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.549 HG12 ' SD ' ' A' ' 83' ' ' MET . 18.5 mt -99.3 139.58 20.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.692 -0.685 . . . . 0.22 112.195 176.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 82' ' ' THR . 40.8 mm-40 -77.69 -51.25 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.774 -1.103 . . . . 1.5900000000000001 109.717 173.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -159.68 139.86 11.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.595 -1.184 . . . . 2.2999999999999998 109.529 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.39 115.58 12.5 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.768 -0.456 . . . . 0.17000000000000001 109.768 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.409 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 30.6 m -137.56 150.11 25.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.136 0.493 . . . . 0.32000000000000001 111.784 -176.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.0 t -94.95 134.42 32.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.113 -1.069 . . . . 0.23000000000000001 108.113 169.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.791 HG12 ' HA2' ' A' ' 79' ' ' GLY . 28.6 mm -85.58 125.24 40.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.5 0.667 . . . . 0.17000000000000001 110.856 -170.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.714 HG22 ' HA ' ' A' ' 75' ' ' SER . 76.7 p -123.7 149.54 45.38 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.66 -1.155 . . . . 0.34000000000000002 108.566 177.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -57.58 127.04 30.04 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.529 -0.545 . . . . 0.64000000000000001 109.529 172.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.574 ' H ' ' HD3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -59.63 -20.77 58.24 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.047 0.758 . . . . 5.2400000000000002 113.047 -174.445 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.49 ' OD1' ' HG2' ' A' ' 70' ' ' ARG . 4.5 m-20 -90.57 -53.09 4.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.789 0.292 . . . . 1.6499999999999999 111.789 -175.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.9 p -91.37 -20.36 21.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.101 0.477 . . . . 0.70999999999999996 111.195 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 64.02 32.86 12.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.944 -1.025 . . . . 1.4199999999999999 110.964 174.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -97.94 138.36 35.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.073 -0.967 . . . . 2.2000000000000002 109.437 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.714 ' HA ' HG22 ' A' ' 68' ' ' THR . 9.0 m -59.39 131.24 50.37 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.155 0.284 . . . . 1.1499999999999999 110.779 -177.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.425 ' HB2' ' CE2' ' A' ' 78' ' ' TYR . 27.8 mtp180 -96.56 15.11 22.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.308 0.575 . . . . 2.1600000000000001 110.739 -175.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.596 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 74.29 13.88 81.12 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-N 115.435 -0.802 . . . . 0.26000000000000001 114.688 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' A' ' 76' ' ' ARG . 54.3 p90 -150.57 167.89 25.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.654 0.727 . . . . 0.46000000000000002 109.997 177.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.791 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -159.12 -177.55 32.3 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 119.995 -1.098 . . . . 0.14000000000000001 112.989 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.632 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 55.5 m-85 -133.24 139.31 46.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.727 0.775 . . . . 0.31 112.126 -177.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 t -125.92 127.2 70.98 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 114.396 -1.275 . . . . 0.28999999999999998 108.765 168.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 19.5 m -106.05 113.25 26.67 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 107.861 -1.162 . . . . 0.26000000000000001 107.861 174.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.583 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.6 mmm -85.41 145.89 27.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.201 0.524 . . . . 0.42999999999999999 110.368 -178.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -69.43 -18.78 63.77 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.22 -0.9 . . . . 1.46 111.236 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -144.74 150.7 37.71 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.951 0.405 . . . . 1.02 111.342 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.606 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 24.9 ttm180 -59.86 -43.22 94.78 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.359 -0.837 . . . . 2.9500000000000002 112.459 -176.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -64.71 -43.8 92.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.465 -0.334 . . . . 0.27000000000000002 110.886 -173.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.4 m -62.43 -43.39 98.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.335 0.588 . . . . 0.55000000000000004 109.811 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.637 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -63.94 -44.82 91.69 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.244 -0.889 . . . . 0.17000000000000001 111.221 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -69.59 -37.06 76.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.222 -0.444 . . . . 2.0800000000000001 111.525 -176.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 4.9 mtp180 -60.57 -40.45 91.72 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 120.573 -0.451 . . . . 3.23 109.901 177.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.42 -35.74 80.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.579 -0.737 . . . . 0.20000000000000001 111.406 175.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.1 m -81.89 -9.34 59.62 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 112.348 0.499 . . . . 0.32000000000000001 112.348 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -63.93 -38.3 90.58 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 121.297 -0.161 . . . . 2.8999999999999999 111.395 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -111.34 102.67 53.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.269 -0.641 . . . . 1.1200000000000001 109.269 176.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.556 ' C ' ' HD3' ' A' ' 98' ' ' PRO . 59.9 Cg_endo -71.06 -2.75 11.58 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.985 2.457 . . . . 0.47999999999999998 114.588 -174.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.493 ' N ' ' HD3' ' A' ' 98' ' ' PRO . 8.8 m-20 -121.98 55.49 6.13 Favored Pre-proline 0 N--CA 1.472 0.658 0 N-CA-C 112.933 0.716 . . . . 0.67000000000000004 112.933 -176.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.556 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 4.8 Cg_exo -73.9 138.06 25.36 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.288 1.992 . . . . 0.47999999999999998 111.907 177.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 49.1 mm -83.75 116.62 28.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.171 -0.468 . . . . 0.42999999999999999 110.562 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.3 mt -126.03 124.46 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 0.44 110.48 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.545 ' OD1' ' HB2' ' A' ' 45' ' ' HIS . 33.9 t70 59.19 34.51 23.2 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.859 0.838 . . . . 1.3300000000000001 110.079 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.71 12.43 82.76 Favored Glycine 0 CA--C 1.522 0.524 0 CA-C-N 115.44 -0.8 . . . . 0.51000000000000001 113.798 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.419 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 70.8 ttt180 -130.4 140.65 50.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.298 0.549 . . . . 1.97 110.386 -179.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.439 ' HD3' ' ND2' ' A' ' 97' ' ' ASN . 37.9 ttmt -73.64 123.52 24.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.389 -0.369 . . . . 1.8700000000000001 110.699 -179.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.33 159.47 16.35 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.596 -0.729 . . . . 0.20999999999999999 110.475 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.536 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 91.7 m-20 -111.13 115.51 29.53 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.167 -0.679 . . . . 1.53 109.167 178.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.626 HG22 HG13 ' A' ' 39' ' ' VAL . 97.7 t -119.11 133.43 65.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.397 0.518 . . . . 0.38 112.397 -175.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -159.37 160.0 34.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.345 -0.843 . . . . 0.60999999999999999 109.319 174.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.4 mt -55.67 127.88 32.06 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.926 -0.398 . . . . 0.23000000000000001 109.926 174.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.97 70.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.862 0.69 . . . . 0.22 112.862 -169.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -70.82 -15.92 62.69 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 121.074 -0.251 . . . . 0.44 111.329 -176.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.5 mt -76.76 -8.51 57.44 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.482 0.549 . . . . 0.44 112.482 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.98 13.64 1.7 Allowed Glycine 0 C--N 1.323 -0.14 0 C-N-CA 120.728 -0.749 . . . . 0.38 112.037 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.74 145.94 38.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.839 0.352 . . . . 0.57999999999999996 111.14 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -65.95 126.41 91.78 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.654 -0.703 . . . . 2.02 111.053 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -79.91 29.38 0.5 Allowed 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.197 2.598 . . . . 2.1899999999999999 112.255 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 117' ' ' ARG . 27.8 tpt180 -154.33 102.99 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.554 -0.748 . . . . 6.5300000000000002 110.164 -178.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.9 t -157.54 171.43 20.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.85 -0.614 . . . . 4.3899999999999997 109.645 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -139.48 -54.77 0.57 Allowed 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 109.842 -0.429 . . . . 6.0 109.842 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.505 HG13 " H4'" ' B' ' 7' ' ' ' DC' . 13.9 t 65.22 38.81 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 115.575 -0.739 . . . . 5.7199999999999998 111.143 174.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.247 -0.882 . . . . 7.9800000000000004 109.503 173.624 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O5'-C5'-C4' 111.084 0.631 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.596 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 C3'-C2'-C1' 100.344 -1.683 . . . . 2.7999999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.419 H2'' ' OP1' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 C3'-C2'-C1' 100.31 -1.707 . . . . 2.0499999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.419 ' OP1' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C4'-C3'-C2' 105.229 2.029 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.632 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 C3'-C2'-C1' 101.173 -1.091 . . . . 1.3799999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . 0.429 " O4'" HD12 ' A' ' 67' ' ' ILE . . . . . . . . 0 O5'--C5' 1.43 -0.615 0 O5'-C5'-C4' 111.264 0.76 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.505 " H4'" HG13 ' A' ' 120' ' ' VAL . . . . . . . . 0 O5'--C5' 1.429 -0.688 0 P-O3'-C3' 120.698 0.831 . . . . 5.3300000000000001 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.856 0 N-CA-C 112.19 -0.364 . . . . 7.0599999999999996 112.19 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 67.09 -88.08 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.156 0.583 . . . . 4.3399999999999999 111.35 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 80.5 mmm -102.65 76.82 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.676 -0.49 . . . . 6.9400000000000004 109.676 -177.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.29 -141.59 26.09 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.823 -0.703 . . . . 3.1600000000000001 111.431 -176.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 t 60.52 89.4 0.07 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.366 0.603 . . . . 4.6500000000000004 111.666 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.784 ' HD3' ' H ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -115.37 -10.23 12.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.024 -0.534 . . . . 5.5 110.574 179.615 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -65.98 -26.45 67.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.55 -0.75 . . . . 2.3900000000000001 111.076 -175.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.411 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 7.4 p -107.2 -3.2 20.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.892 -0.594 . . . . 0.76000000000000001 112.373 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.443 ' HG3' ' HA ' ' A' ' 30' ' ' ARG . 69.7 mtp -54.92 -52.3 63.38 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.36 0.874 . . . . 0.91000000000000003 113.36 -174.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.587 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 81.1 m-85 -105.75 0.48 26.21 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.162 -0.615 . . . . 0.85999999999999999 111.168 -176.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 26.0 p -106.33 -30.21 9.29 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.544 -0.298 . . . . 0.25 111.713 -175.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.476 ' HE3' ' O6 ' ' B' ' 6' ' ' ' DG' . 86.9 tttt -82.92 111.7 19.04 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 121.177 0.513 . . . . 1.28 109.743 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.409 HG12 HD23 ' A' ' 109' ' ' LEU . 63.8 mt -101.76 132.77 47.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.451 -0.795 . . . . 0.20999999999999999 110.431 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -97.42 123.43 41.26 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.424 -0.584 . . . . 0.29999999999999999 109.424 175.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.523 HG13 HG22 ' A' ' 107' ' ' VAL . 3.7 t -104.33 124.67 58.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.355 -0.609 . . . . 0.25 109.355 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.24 156.98 19.3 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.098 -0.572 . . . . 0.23999999999999999 112.256 -173.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.15 9.85 86.65 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.916 -0.659 . . . . 0.23999999999999999 112.534 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.19 135.02 93.55 Favored Pre-proline 0 C--N 1.327 -0.389 0 C-N-CA 122.301 0.24 . . . . 0.20000000000000001 110.66 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 45.7 Cg_endo -68.9 152.35 73.6 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.028 1.818 . . . . 0.28000000000000003 110.292 174.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -63.59 -14.76 54.64 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.988 0.366 . . . . 0.54000000000000004 111.988 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.409 ' HB2' ' OD1' ' A' ' 101' ' ' ASP . 11.8 m80 -76.27 -22.78 54.69 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.888 0.329 . . . . 2.3700000000000001 111.888 178.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.7 m -58.21 134.81 56.84 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.296 0.48 . . . . 0.34999999999999998 112.296 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.9 p -117.14 167.52 11.11 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.161 -0.472 . . . . 0.26000000000000001 110.367 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -53.12 -39.62 63.6 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.895 -0.593 . . . . 0.55000000000000004 111.419 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.584 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 37.9 ttpt -69.11 -33.77 74.0 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.35 -0.387 . . . . 2.2400000000000002 110.119 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.0 m -62.04 -40.39 95.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.995 0.426 . . . . 0.39000000000000001 110.191 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.5 mt -71.91 -40.99 68.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.26000000000000001 110.29 176.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -55.34 -56.0 25.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.605 -0.725 . . . . 0.69999999999999996 111.067 177.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 9.5 mm-40 -59.67 -43.65 93.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.632 0.604 . . . . 2.6800000000000002 112.632 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.456 ' OH ' ' HB3' ' A' ' 98' ' ' PRO . 73.3 t80 -70.17 -52.59 22.24 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.914 -0.714 . . . . 0.84999999999999998 111.911 -175.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.469 ' CB ' HD11 ' A' ' 61' ' ' ILE . 79.0 m-85 -71.81 -27.64 63.06 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.143 0.794 . . . . 0.23999999999999999 113.143 -176.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -17.68 64.99 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.387 -0.525 . . . . 1.9299999999999999 110.843 -175.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -67.58 -11.58 58.42 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.961 -0.563 . . . . 2.0600000000000001 111.158 177.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 43.5 m-85 -92.38 -30.22 15.9 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 122.303 -0.248 . . . . 0.29999999999999999 111.135 178.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.16 -168.64 36.51 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.41 -0.9 . . . . 1.3600000000000001 112.568 -174.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -63.03 117.6 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.469 0.652 . . . . 0.65000000000000002 112.334 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.514 HG12 ' SD ' ' A' ' 83' ' ' MET . 31.9 mt -96.66 133.44 38.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.435 -0.802 . . . . 0.22 111.054 168.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.451 ' OE1' ' HE2' ' A' ' 84' ' ' LYS . 1.9 mm-40 -80.3 -42.32 23.26 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.117 -0.947 . . . . 1.5900000000000001 109.607 174.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -157.63 135.33 10.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.155 -0.93 . . . . 2.2999999999999998 109.685 -173.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.91 113.71 10.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 117.832 0.287 . . . . 0.17000000000000001 110.3 176.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 m -139.24 150.79 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.304 0.483 . . . . 0.32000000000000001 112.304 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.6 t -96.74 133.92 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 107.788 -1.19 . . . . 0.23000000000000001 107.788 169.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.83 HG12 ' HA2' ' A' ' 79' ' ' GLY . 26.0 mm -82.92 128.37 38.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-O 121.679 0.752 . . . . 0.17000000000000001 110.942 -169.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.75 HG22 ' HA ' ' A' ' 75' ' ' SER . 32.5 p -129.48 147.04 51.25 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.425 -1.261 . . . . 0.34000000000000002 107.835 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.97 132.03 48.21 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.854 -0.738 . . . . 0.64000000000000001 109.744 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.663 ' HB3' ' OP1' ' B' ' 7' ' ' ' DC' . 0.0 OUTLIER -61.66 -15.99 44.72 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.429 0.9 . . . . 5.2400000000000002 113.429 -172.332 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -86.06 -58.39 2.66 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.68 -0.408 . . . . 1.6499999999999999 110.898 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.1 p -96.59 -20.68 18.16 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.28 0.474 . . . . 0.70999999999999996 112.28 -174.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 68.34 23.49 7.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.468 -0.787 . . . . 1.4199999999999999 110.891 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -77.82 150.91 34.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.043 -0.526 . . . . 2.2000000000000002 109.787 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.75 ' HA ' HG22 ' A' ' 68' ' ' THR . 15.5 m -75.56 123.49 25.57 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.01 -0.367 . . . . 1.1499999999999999 110.01 -171.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.565 ' HD2' HG22 ' A' ' 67' ' ' ILE . 54.1 mtt180 -82.02 5.74 18.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.046 0.451 . . . . 2.1600000000000001 111.523 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.584 ' HA3' ' H22' ' B' ' 2' ' ' ' DG' . . . 73.58 10.89 80.13 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.827 -0.701 . . . . 0.26000000000000001 114.124 178.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.491 ' CE2' ' HB3' ' A' ' 76' ' ' ARG . 40.7 p90 -149.6 165.04 33.47 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.268 -0.641 . . . . 0.46000000000000002 109.268 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.83 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -154.38 -175.81 25.99 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 119.91 -1.138 . . . . 0.14000000000000001 112.766 -176.014 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -132.74 138.26 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.6 0.714 . . . . 0.31 111.373 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.3 t -122.98 123.27 67.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 114.664 -1.153 . . . . 0.28999999999999998 109.346 170.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -101.81 108.92 20.56 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.35 -0.981 . . . . 0.26000000000000001 108.35 177.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.542 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.8 mmm -84.2 148.33 26.8 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.37 0.605 . . . . 0.42999999999999999 110.579 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.451 ' HE2' ' OE1' ' A' ' 62' ' ' GLU . 19.7 ttmt -75.85 -17.94 59.62 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.768 -1.105 . . . . 1.46 110.625 -177.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -147.36 151.01 35.82 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.351 0.596 . . . . 1.02 110.984 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.587 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 4.7 ttm180 -60.7 -41.79 95.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.303 -0.862 . . . . 2.9500000000000002 111.947 -176.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.705 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -66.04 -45.74 80.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.365 -0.38 . . . . 0.27000000000000002 111.171 -170.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.8 m -63.7 -39.11 93.49 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.61 -0.515 . . . . 0.55000000000000004 109.61 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.542 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.83 -44.72 95.38 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.953 -0.567 . . . . 0.17000000000000001 111.002 177.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -71.37 -34.69 70.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.738 -0.664 . . . . 2.0800000000000001 111.919 -175.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.705 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 29.9 mmm180 -60.24 -39.94 88.47 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.118 -0.697 . . . . 3.23 109.118 175.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.522 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -61.38 -37.26 82.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.514 -0.767 . . . . 0.20000000000000001 111.166 175.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 64.4 m -81.43 -12.57 58.88 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.064 0.394 . . . . 0.32000000000000001 112.064 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -65.64 -34.62 78.65 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.193 0.52 . . . . 2.8999999999999999 109.739 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -108.07 88.86 5.02 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 108.619 -0.882 . . . . 1.1200000000000001 108.619 172.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.537 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 54.5 Cg_endo -69.09 -3.83 12.35 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.0 2.467 . . . . 0.47999999999999998 113.944 -174.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.657 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 89.0 m-20 -129.18 67.09 78.01 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 111.973 0.36 . . . . 0.67000000000000004 111.973 -178.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.456 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 5.0 Cg_exo -74.69 142.11 28.48 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.789 2.326 . . . . 0.47999999999999998 111.705 174.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.3 mm -83.32 110.44 18.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.43 -0.582 . . . . 0.42999999999999999 109.43 172.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.4 mt -125.79 120.59 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.064 -0.517 . . . . 0.44 110.167 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 45' ' ' HIS . 26.4 t70 60.5 34.86 20.34 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.984 0.897 . . . . 1.3300000000000001 110.246 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.21 3.51 88.47 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.025 -0.989 . . . . 0.51000000000000001 112.87 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.516 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 15.7 tpt180 -115.37 137.02 52.48 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 122.723 -0.281 . . . . 1.97 110.673 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -74.84 120.16 20.01 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.438 -0.949 . . . . 1.8700000000000001 108.438 171.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.657 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.41 159.2 16.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.295 -0.411 . . . . 0.20999999999999999 110.666 -175.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.537 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 3.7 m-20 -115.07 115.3 26.57 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.201 -0.666 . . . . 1.53 109.201 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.523 HG22 HG13 ' A' ' 39' ' ' VAL . 94.5 t -117.76 134.23 62.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.898 0.38 . . . . 0.38 111.936 -175.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -155.9 155.97 33.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.809 -0.632 . . . . 0.60999999999999999 110.05 175.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 34' ' ' PHE . 88.1 mt -55.81 130.64 44.3 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.712 -0.477 . . . . 0.23000000000000001 109.712 174.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.11 -33.04 73.7 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.229 0.826 . . . . 0.22 113.229 -167.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -68.08 -16.51 64.05 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.786 -0.366 . . . . 0.44 111.298 -175.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.1 mt -71.16 -8.15 51.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.332 0.493 . . . . 0.44 112.332 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.74 12.62 0.99 Allowed Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.766 -0.73 . . . . 0.38 111.328 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.26 145.98 43.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.127 0.489 . . . . 0.57999999999999996 112.004 -174.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -69.46 149.21 97.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.283 -0.872 . . . . 2.02 110.43 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.86 114.72 2.12 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.596 2.197 . . . . 2.1899999999999999 111.31 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 77.29 82.28 0.08 Allowed 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.849 0.718 . . . . 6.5300000000000002 110.689 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.4 t -81.42 119.85 24.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.821 -0.627 . . . . 4.3899999999999997 109.613 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.422 ' HB3' " O3'" ' B' ' 7' ' ' ' DC' . 10.9 t30 -84.38 114.05 21.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.225 0.536 . . . . 6.0 111.425 -173.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.8 t -129.58 115.55 35.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.744 -0.835 . . . . 5.7199999999999998 108.744 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.482 -0.771 . . . . 7.9800000000000004 110.457 -176.528 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O5'-C5'-C4' 111.529 0.949 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.584 ' H22' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C3'-C2'-C1' 100.677 -1.445 . . . . 2.7999999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.571 ' OP1' ' C6 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 P--O5' 1.597 0.431 0 O5'-C5'-C4' 112.519 1.656 . . . . 2.0499999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.456 ' C6 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 C4'-C3'-C2' 105.03 1.83 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.658 0 C3'-C2'-C1' 101.154 -1.104 . . . . 1.3799999999999999 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . 0.476 ' O6 ' ' HE3' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.431 -0.591 0 C5'-C4'-C3' 115.564 0.576 . . . . 0.59999999999999998 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.663 ' OP1' ' HB3' ' A' ' 70' ' ' ARG . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 O4'-C4'-C3' 106.148 0.548 . . . . 5.3300000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.652 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 2.2 p . . . . . 0 N--CA 1.449 -0.504 0 CA-C-O 120.66 0.266 . . . . 0.76 111.711 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.7 ttt -51.16 -54.33 26.35 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.137 0.792 . . . . 0.91 113.137 -171.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.534 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 62.5 m-85 -106.72 2.2 25.58 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 121.914 -0.491 . . . . 0.86 111.941 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 15.3 p -106.61 -22.07 12.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.807 0.669 . . . . 0.25 112.807 -175.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.652 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 40.0 tttp -85.75 113.17 21.72 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.758 0.313 . . . . 1.28 110.381 -177.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.55 HD11 ' HA ' ' A' ' 89' ' ' ALA . 65.5 mt -103.13 134.29 44.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.186 -0.461 . . . . 0.21 111.163 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -100.78 128.66 46.74 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.589 -0.522 . . . . 0.3 109.589 173.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.416 HG13 HG22 ' A' ' 107' ' ' VAL . 7.5 t -110.66 130.42 64.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.866 -0.42 . . . . 0.25 109.866 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.02 160.78 21.31 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.939 -0.573 . . . . 0.24 112.051 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.39 28.21 64.21 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.814 -0.708 . . . . 0.24 112.776 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.2 mt -85.67 130.33 51.37 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.762 0.315 . . . . 0.2 110.955 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 16.3 Cg_endo -60.41 142.9 99.21 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.877 1.718 . . . . 0.28 110.165 172.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -62.13 -20.67 64.32 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.716 0.265 . . . . 0.54 111.716 -172.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.46 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 19.1 p80 -81.0 -13.29 59.0 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.122 0.786 . . . . 2.37 113.122 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.447 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 48.2 m -56.07 139.76 45.88 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.526 0.603 . . . . 0.35 111.189 175.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.7 p -111.9 163.17 14.52 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.086 0.469 . . . . 0.26 110.705 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.65 -36.74 62.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.556 -0.747 . . . . 0.55 110.696 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.664 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 26.6 ttpp -68.68 -35.36 77.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 2.24 110.281 -178.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.4 m -62.32 -39.86 94.42 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.704 0.287 . . . . 0.39 110.544 177.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.4 mt -70.42 -42.49 71.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.647 -0.501 . . . . 0.26 109.647 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -55.93 -55.52 31.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.255 -0.884 . . . . 0.7 111.548 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 25.0 mm-40 -60.02 -45.37 93.02 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.443 0.534 . . . . 2.68 112.443 -176.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -70.16 -51.61 29.88 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.891 -0.324 . . . . 0.85 111.375 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -71.18 -27.93 63.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.483 0.92 . . . . 0.24 113.483 -176.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -68.77 -13.92 62.7 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.766 -0.774 . . . . 1.93 110.727 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -67.03 -11.06 55.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 2.06 111.84 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -92.16 -15.58 27.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.6 0.238 . . . . 0.3 110.943 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.42 -110.82 0.43 Allowed Glycine 0 C--N 1.329 0.166 0 C-N-CA 120.601 -0.809 . . . . 1.36 112.515 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -130.83 139.95 50.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.923 0.392 . . . . 0.65 110.924 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.465 HG12 ' SD ' ' A' ' 83' ' ' MET . 39.9 mt -110.35 140.94 27.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.114 0.483 . . . . 0.22 111.73 177.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -79.24 -51.63 9.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.234 -0.893 . . . . 1.59 109.579 172.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -155.3 136.21 13.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.738 -1.119 . . . . 2.3 109.888 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.13 114.51 11.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.773 -0.455 . . . . 0.17 109.773 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.4 m -138.55 151.62 24.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.935 -0.575 . . . . 0.32 111.992 -174.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 50.0 t -96.06 134.3 34.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.543 -1.28 . . . . 0.23 107.543 170.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.803 HG12 ' HA2' ' A' ' 79' ' ' GLY . 43.7 mm -85.12 128.66 38.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.494 0.664 . . . . 0.17 111.274 -168.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.641 HG22 ' HA ' ' A' ' 75' ' ' SER . 73.9 p -121.93 149.3 43.62 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 115.013 -0.994 . . . . 0.34 108.709 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.67 126.61 28.11 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.738 -0.467 . . . . 0.64 109.738 173.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.53 ' C ' ' HD3' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -62.75 -16.57 58.3 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.77 0.655 . . . . 5.24 112.77 -172.618 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -87.59 -54.23 4.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.985 0.422 . . . . 1.65 110.833 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.1 p -92.51 -15.39 27.1 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.243 0.46 . . . . 0.71 112.243 -175.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 62.99 30.95 16.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.418 -0.81 . . . . 1.42 110.529 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -103.99 140.5 37.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.616 -0.72 . . . . 2.2 109.84 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.641 ' HA ' HG22 ' A' ' 68' ' ' THR . 14.6 m -59.02 131.5 51.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 1.15 111.925 -173.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -93.45 10.53 31.96 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.0 -0.545 . . . . 2.16 110.671 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.43 16.26 78.91 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.526 -0.761 . . . . 0.26 114.869 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -149.11 165.21 32.44 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.909 -0.775 . . . . 0.46 108.909 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.803 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -152.0 179.51 28.51 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 119.754 -1.212 . . . . 0.14 112.962 -174.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.452 ' HD1' ' CG1' ' A' ' 67' ' ' ILE . 53.5 m-85 -134.11 139.77 46.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.847 0.832 . . . . 0.31 111.607 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.6 t -125.55 130.41 72.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 114.361 -1.291 . . . . 0.29 109.24 170.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 m -108.2 110.64 22.32 Favored 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.795 -1.187 . . . . 0.26 107.795 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.503 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 91.3 mmm -83.92 149.28 26.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.089 0.471 . . . . 0.43 110.443 -175.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -76.56 -19.75 57.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.217 -0.902 . . . . 1.46 110.137 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.52 146.62 38.37 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.535 -0.757 . . . . 1.02 110.577 -178.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.534 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 59.7 ttt180 -66.49 -43.81 84.37 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.328 0.492 . . . . 2.95 112.328 -177.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.672 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -60.42 -40.18 90.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.003 0.43 . . . . 0.27 110.32 -176.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.5 m -62.29 -44.38 96.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.487 -0.779 . . . . 0.55 109.73 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.55 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -63.42 -44.92 93.22 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.654 -0.703 . . . . 0.17 110.884 178.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -69.88 -37.55 76.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.668 -0.696 . . . . 2.08 111.659 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 28.5 mmm180 -61.01 -39.23 88.94 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.478 -0.564 . . . . 3.23 109.478 175.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.74 74.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.857 -0.61 . . . . 0.2 111.26 175.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 60.8 m -80.8 -16.12 54.61 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.654 0.242 . . . . 0.32 111.654 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -70.04 -32.34 70.42 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 110.155 -0.313 . . . . 2.9 110.155 -179.24 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -101.33 89.5 1.4 Allowed Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.868 -0.79 . . . . 1.12 108.868 171.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.499 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 56.4 Cg_endo -69.62 -15.4 37.59 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.434 2.089 . . . . 0.48 113.904 -170.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.762 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 14.9 m120 -131.04 63.74 71.37 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 112.492 0.553 . . . . 0.67 112.492 -173.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -75.28 148.78 34.66 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.481 2.121 . . . . 0.48 112.489 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.3 mm -80.21 111.81 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.852 0.358 . . . . 0.43 110.255 175.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.9 mt -120.8 115.15 46.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.26 -0.427 . . . . 0.44 110.279 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.76 44.34 26.34 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.707 -0.679 . . . . 1.33 111.383 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.45 6.02 89.51 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 115.395 -0.82 . . . . 0.51 114.732 174.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.546 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 63.4 ttt180 -134.41 141.76 46.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.751 0.776 . . . . 1.97 110.494 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.537 ' HD3' ' HB3' ' A' ' 97' ' ' ASN . 23.8 ttmm -76.4 127.38 32.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.226 -0.443 . . . . 1.87 110.061 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.762 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.59 161.34 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.76 -0.654 . . . . 0.21 110.987 -176.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.499 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 2.0 p-10 -116.73 117.78 30.72 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.183 -0.673 . . . . 1.53 109.183 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.416 HG22 HG13 ' A' ' 39' ' ' VAL . 59.0 t -117.62 137.3 51.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.736 -0.665 . . . . 0.38 112.109 -172.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -156.28 155.94 33.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.969 -0.559 . . . . 0.61 110.053 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.3 mt -55.51 128.25 33.58 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.786 -0.449 . . . . 0.23 109.786 172.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.75 -34.19 77.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.023 0.749 . . . . 0.22 113.023 -168.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -63.51 -20.27 65.47 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.849 0.357 . . . . 0.44 111.237 -174.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.8 mt -70.7 -7.98 48.67 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.606 0.595 . . . . 0.44 112.606 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -148.98 12.94 1.11 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.699 -0.762 . . . . 0.38 111.685 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 120.682 0.277 . . . . 0.58 110.834 -177.635 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.616 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 4.4 p . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 112.815 0.672 . . . . 0.76 112.815 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 52.7 mtp -53.16 -53.7 46.68 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.858 0.688 . . . . 0.91 112.858 -178.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.541 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 47.8 m-85 -106.29 -5.26 19.27 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 118.229 0.468 . . . . 0.86 111.905 -177.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.501 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 10.9 p -99.87 -23.38 14.97 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.552 -0.295 . . . . 0.25 111.766 -174.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.616 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 86.0 tttt -95.23 113.76 25.48 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.401 0.62 . . . . 1.28 110.288 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.432 HG12 HD23 ' A' ' 109' ' ' LEU . 73.8 mt -103.36 132.86 48.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.13 -0.941 . . . . 0.21 110.534 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -97.89 123.6 41.94 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.116 -0.698 . . . . 0.3 109.116 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.569 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.3 t -107.29 128.49 62.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.33 -0.619 . . . . 0.25 109.33 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.47 153.93 18.89 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.051 -0.595 . . . . 0.24 112.628 -172.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.9 16.27 77.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.829 -0.701 . . . . 0.24 112.617 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.2 mt -74.88 133.77 75.72 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 120.658 0.266 . . . . 0.2 111.094 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 19.1 Cg_endo -60.67 146.02 97.89 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.378 2.052 . . . . 0.28 110.94 173.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -64.59 -15.19 60.69 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.804 0.335 . . . . 0.54 111.322 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -77.28 -22.0 52.74 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.366 -0.379 . . . . 2.37 111.548 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.9 m -55.64 136.12 50.7 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 111.733 0.272 . . . . 0.35 111.733 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.6 p -110.77 163.44 13.76 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.031 0.443 . . . . 0.26 110.197 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -53.79 -32.65 53.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.762 -0.654 . . . . 0.55 110.324 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.62 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 38.8 ttmt -68.71 -38.2 80.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.728 -0.669 . . . . 2.24 110.774 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.8 m -62.12 -36.94 83.26 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.024 0.44 . . . . 0.39 110.415 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.3 mt -70.77 -41.09 72.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.108 -0.497 . . . . 0.26 110.199 176.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -55.62 -55.27 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.66 -0.7 . . . . 0.7 111.213 176.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.62 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 14.4 mm-40 -59.53 -44.6 93.16 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.06 0.393 . . . . 2.68 112.06 -175.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -70.77 -52.84 18.16 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.575 -0.45 . . . . 0.85 111.459 -172.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.447 ' HB2' HD11 ' A' ' 61' ' ' ILE . 77.2 m-85 -71.72 -28.32 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.638 0.977 . . . . 0.24 113.638 -176.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -66.34 -16.21 63.87 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.257 -0.577 . . . . 1.93 110.562 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -67.58 -18.65 65.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 2.06 111.292 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.408 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 77.3 m-85 -91.71 -22.58 20.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.986 0.422 . . . . 0.3 110.517 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.518 ' HA3' ' HB3' ' A' ' 88' ' ' SER . . . 165.9 -176.19 41.36 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.441 -0.663 . . . . 1.36 111.441 -178.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.83 136.9 47.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.091 0.472 . . . . 0.65 110.88 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 55' ' ' PHE . 40.5 mt -105.64 134.78 46.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.689 -0.687 . . . . 0.22 110.918 178.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.464 ' HG2' ' HE2' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -80.06 -44.73 19.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.107 -0.951 . . . . 1.59 109.537 175.685 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -158.9 136.49 10.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.364 -0.835 . . . . 2.3 110.156 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.08 115.38 12.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.883 -0.414 . . . . 0.17 109.883 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.4 m -138.06 151.84 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.857 0.36 . . . . 0.32 111.648 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.06 134.82 32.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.435 -0.95 . . . . 0.23 108.435 171.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.494 HG12 ' HA2' ' A' ' 79' ' ' GLY . 14.1 mm -83.55 128.53 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.71 0.767 . . . . 0.17 111.869 -169.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.44 HG22 ' HA ' ' A' ' 75' ' ' SER . 46.4 p -124.27 146.42 48.78 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.289 -1.323 . . . . 0.34 109.318 -178.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.407 ' OD1' ' HD3' ' A' ' 70' ' ' ARG . 5.7 t70 -57.3 135.56 56.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.602 0.239 . . . . 0.64 110.624 173.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.407 ' H ' ' CD ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -62.39 -24.52 67.43 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.076 0.769 . . . . 5.24 113.076 -178.027 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -86.01 -55.55 3.89 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.651 -0.42 . . . . 1.65 111.752 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.5 p -91.02 -14.16 31.92 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.141 0.423 . . . . 0.71 112.141 -173.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 61.05 29.85 19.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.211 -0.904 . . . . 1.42 110.333 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -104.12 139.84 38.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.704 -0.68 . . . . 2.2 110.546 -177.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.44 ' HA ' HG22 ' A' ' 68' ' ' THR . 15.2 m -60.44 133.47 56.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.245 0.545 . . . . 1.15 111.467 -175.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -97.5 18.45 15.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.864 -0.607 . . . . 2.16 111.189 -176.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.47 16.7 80.47 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.956 -0.64 . . . . 0.26 114.303 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.569 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 47.7 p90 -156.49 167.64 29.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.267 0.534 . . . . 0.46 110.497 176.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.494 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -151.26 -177.19 24.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.14 113.038 -175.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.441 ' HD1' HD11 ' A' ' 67' ' ' ILE . 47.8 m-85 -132.36 139.76 48.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.58 0.705 . . . . 0.31 111.904 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.6 t -127.16 126.61 68.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 114.401 -1.272 . . . . 0.29 109.574 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 m -106.43 110.36 22.55 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.06 -1.089 . . . . 0.26 108.06 175.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.483 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.4 mmm -83.48 149.41 26.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.083 0.468 . . . . 0.43 110.001 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.464 ' HE2' ' HG2' ' A' ' 62' ' ' GLU . 12.3 ttmt -76.33 -17.11 59.58 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.624 -0.716 . . . . 1.46 110.883 -177.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.8 147.33 38.88 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.399 -0.364 . . . . 1.02 111.084 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.541 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 33.0 ttm180 -63.99 -44.33 93.0 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 112.75 0.648 . . . . 2.95 112.75 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.661 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -64.57 -40.37 95.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.891 0.377 . . . . 0.27 110.519 -175.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.518 ' HB3' ' HA3' ' A' ' 59' ' ' GLY . 16.1 m -62.36 -43.47 98.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.637 -0.71 . . . . 0.55 109.977 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.483 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -63.17 -42.35 99.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.237 -0.892 . . . . 0.17 111.572 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -69.51 -37.14 77.03 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.395 -0.366 . . . . 2.08 111.126 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.661 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 49.4 mtp180 -59.8 -38.74 82.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.995 0.426 . . . . 3.23 110.07 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.408 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -63.21 -39.34 94.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.542 -0.754 . . . . 0.2 111.385 174.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 61.4 m -82.28 -9.32 59.52 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.073 0.397 . . . . 0.32 112.073 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -64.79 -35.38 80.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.665 0.269 . . . . 2.9 111.088 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -113.46 92.67 24.14 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 108.228 -1.027 . . . . 1.12 108.228 172.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.521 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 56.9 Cg_endo -69.72 2.55 3.41 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.225 2.616 . . . . 0.48 114.233 -170.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.506 ' N ' ' HD3' ' A' ' 98' ' ' PRO . 15.7 m120 -126.08 53.87 9.77 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 112.873 0.694 . . . . 0.67 112.873 -176.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.517 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 3.4 Cg_exo -74.29 144.15 32.62 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.428 2.085 . . . . 0.48 112.087 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.1 mm -81.64 110.96 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.839 -0.43 . . . . 0.43 109.839 176.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.9 mt -121.57 122.98 68.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.488 -0.324 . . . . 0.44 110.927 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.9 t70 58.84 39.37 24.06 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.783 0.801 . . . . 1.33 110.243 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.55 6.81 87.01 Favored Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.366 -0.834 . . . . 0.51 113.723 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.438 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 52.8 ttt180 -133.09 134.27 44.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.937 0.368 . . . . 1.97 110.754 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.406 ' HD3' ' HB3' ' A' ' 97' ' ' ASN . 23.5 ttmm -67.53 123.45 20.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.983 0.421 . . . . 1.87 110.147 177.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.58 160.15 15.9 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.305 -0.861 . . . . 0.21 110.255 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 94.9 m-20 -111.01 115.35 29.33 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.843 -0.799 . . . . 1.53 108.843 177.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.467 HG22 HG13 ' A' ' 39' ' ' VAL . 91.1 t -114.39 128.18 71.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.05 -0.523 . . . . 0.38 111.596 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -152.73 153.55 33.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.875 -0.602 . . . . 0.61 109.74 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.432 HD23 HG12 ' A' ' 37' ' ' ILE . 98.5 mt -56.48 130.35 44.55 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.756 -0.461 . . . . 0.23 109.756 173.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.08 -32.11 69.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.328 0.862 . . . . 0.22 113.328 -168.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -67.85 -15.06 63.44 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.734 -0.386 . . . . 0.44 111.527 -176.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.5 mt -74.17 -8.14 55.11 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.594 0.59 . . . . 0.44 112.594 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -150.82 13.37 0.87 Allowed Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 120.182 -1.008 . . . . 0.38 112.311 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 115.873 -0.163 . . . . 0.58 111.043 -179.088 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.661 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 34.9 p . . . . . 0 C--O 1.226 -0.175 0 CA-C-O 120.533 0.206 . . . . 0.76 111.058 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 57.9 ttm -51.66 -54.74 24.76 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.003 0.742 . . . . 0.91 113.003 -173.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.587 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 79.5 m-85 -105.34 -0.53 26.11 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 120.765 -0.374 . . . . 0.86 111.274 -177.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.533 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 32.3 p -104.43 -25.03 12.97 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 111.803 0.298 . . . . 0.25 111.803 -175.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.661 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 54.4 tttm -87.69 112.05 21.95 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 121.299 0.571 . . . . 1.28 110.087 -177.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.66 HD11 ' HA ' ' A' ' 89' ' ' ALA . 67.0 mt -99.6 134.75 37.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.295 -0.866 . . . . 0.21 110.173 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -99.13 123.77 43.67 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.097 -0.705 . . . . 0.3 109.097 172.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.499 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 6.4 t -105.73 124.51 60.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.684 -0.487 . . . . 0.25 109.684 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.71 155.9 19.82 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.826 -0.702 . . . . 0.24 112.501 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.16 26.97 60.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.711 -0.757 . . . . 0.24 112.56 177.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.463 HD11 HD21 ' A' ' 51' ' ' LEU . 87.0 mt -84.64 142.98 40.29 Favored Pre-proline 0 C--N 1.323 -0.568 0 C-N-CA 122.214 0.206 . . . . 0.2 110.501 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.527 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 18.8 Cg_endo -62.22 141.1 86.77 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.972 1.781 . . . . 0.28 110.068 171.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -59.62 -30.19 68.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.492 0.553 . . . . 0.54 112.492 -171.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.455 ' HD2' ' HB2' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -76.83 -10.16 59.18 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.166 0.432 . . . . 2.37 112.166 -177.241 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.527 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 51.7 m -56.99 136.18 56.25 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.0 0.428 . . . . 0.35 111.441 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.0 p -111.58 166.47 11.12 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.98 -0.555 . . . . 0.26 110.928 -176.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -53.29 -36.13 60.85 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.606 -0.725 . . . . 0.55 110.305 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.453 ' NZ ' ' HB2' ' A' ' 49' ' ' LYS . 4.0 ttmp? -60.58 -42.76 97.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.341 -0.845 . . . . 2.24 110.855 178.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.454 ' HB ' HG23 ' A' ' 46' ' ' THR . 17.2 m -61.45 -41.44 97.22 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.838 0.351 . . . . 0.39 110.711 -178.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.463 HD21 HD11 ' A' ' 42' ' ' LEU . 26.2 mt -71.31 -41.9 69.31 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.222 -0.445 . . . . 0.26 110.484 177.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -56.26 -55.65 30.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.506 -0.77 . . . . 0.7 110.702 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.17 -45.68 90.39 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.508 0.559 . . . . 2.68 112.508 -177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -69.41 -53.35 19.81 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.541 -0.464 . . . . 0.85 111.93 -172.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.504 ' HB2' HD11 ' A' ' 61' ' ' ILE . 69.0 m-85 -72.9 -28.36 62.42 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.807 1.04 . . . . 0.24 113.807 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.506 ' HB3' HD12 ' A' ' 61' ' ' ILE . 15.9 pt-20 -70.0 -15.92 63.09 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.129 -0.628 . . . . 1.93 110.927 -175.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -70.47 -7.63 44.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.482 -0.326 . . . . 2.06 111.351 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -91.28 -15.06 29.77 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.872 0.368 . . . . 0.3 110.507 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.11 -111.36 0.44 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.916 -0.659 . . . . 1.36 112.615 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -127.07 123.76 37.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.736 0.303 . . . . 0.65 111.171 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.506 HD12 ' HB3' ' A' ' 56' ' ' GLU . 25.5 mt -94.84 133.6 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.069 0.462 . . . . 0.22 111.248 174.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -88.59 -37.94 15.26 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.665 -0.698 . . . . 1.59 110.268 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -159.33 134.31 8.14 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.155 -0.683 . . . . 2.3 109.155 177.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.02 115.63 11.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.949 0.34 . . . . 0.17 111.113 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.76 149.03 23.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.151 0.5 . . . . 0.32 112.257 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.467 HG21 HG22 ' A' ' 46' ' ' THR . 99.0 t -91.02 135.15 27.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 107.861 -1.162 . . . . 0.23 107.861 171.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.909 HG12 ' HA2' ' A' ' 79' ' ' GLY . 24.9 mm -84.02 126.5 40.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.262 0.553 . . . . 0.17 111.073 -168.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.8 p -119.11 145.8 45.65 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.02 -0.991 . . . . 0.34 108.804 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.408 ' HB3' ' OG1' ' A' ' 72' ' ' THR . 20.5 t70 -57.77 137.88 56.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.219 0.533 . . . . 0.64 111.879 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -57.71 -33.76 68.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.139 -0.937 . . . . 5.24 112.908 -176.508 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -97.24 -16.4 20.38 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.744 1.016 . . . . 1.65 113.744 -173.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.408 ' OG1' ' HB3' ' A' ' 69' ' ' ASP . 33.0 p -123.28 -24.22 4.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.425 0.631 . . . . 0.71 111.023 -173.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 64.78 29.4 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.402 -1.272 . . . . 1.42 109.878 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -93.75 134.16 36.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.948 -1.024 . . . . 2.2 109.701 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.5 m -60.27 134.37 56.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.177 0.513 . . . . 1.15 110.856 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.4 mtp85 -91.89 11.08 26.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.511 0.672 . . . . 2.16 109.949 -177.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.42 17.91 79.84 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.984 -1.007 . . . . 0.26 112.88 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.499 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 26.4 p90 -154.89 167.39 30.46 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.361 -0.607 . . . . 0.46 109.361 177.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.909 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -157.82 -171.51 23.87 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.297 -0.954 . . . . 0.14 112.693 -176.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -133.18 138.85 46.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.918 0.866 . . . . 0.31 111.671 -178.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.4 t -123.32 124.74 70.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-N 113.908 -1.497 . . . . 0.29 109.345 174.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.6 m -106.32 107.69 18.83 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.19 -1.041 . . . . 0.26 108.19 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.524 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.2 mmm -85.59 140.61 30.47 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.9 -0.408 . . . . 0.43 109.9 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -68.42 -17.59 64.25 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.535 -0.757 . . . . 1.46 110.613 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -141.37 148.36 39.52 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-O 120.843 0.354 . . . . 1.02 110.627 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.587 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 52.8 ttt180 -63.36 -42.98 98.93 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.912 -0.585 . . . . 2.95 111.961 -177.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -61.96 -40.37 95.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.905 0.383 . . . . 0.27 110.649 -172.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.3 m -64.54 -43.94 92.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.925 -0.579 . . . . 0.55 110.153 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.66 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -62.99 -44.72 95.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.823 -0.626 . . . . 0.17 111.363 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.418 ' HG2' ' NZ ' ' A' ' 94' ' ' LYS . 45.6 tt0 -69.94 -34.81 73.93 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.965 -0.562 . . . . 2.08 111.913 -175.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 16.3 mtm180 -60.87 -39.69 90.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.938 -0.764 . . . . 3.23 108.938 175.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.89 98.48 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.476 -0.784 . . . . 0.2 111.381 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.9 m -82.31 -11.75 58.43 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.404 0.52 . . . . 0.32 112.404 -176.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -68.15 -31.74 71.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.778 0.323 . . . . 2.9 110.175 -176.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -105.07 111.23 65.19 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.034 -0.728 . . . . 1.12 109.034 172.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.622 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.0 Cg_endo -70.57 -13.47 32.65 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.434 2.09 . . . . 0.48 114.462 -175.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.571 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 7.9 m120 -134.36 64.21 63.81 Favored Pre-proline 0 N--CA 1.466 0.356 0 N-CA-C 112.965 0.728 . . . . 0.67 112.965 -173.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 8.4 Cg_exo -73.99 145.18 35.3 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.594 2.196 . . . . 0.48 111.43 171.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.3 mm -83.67 111.83 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.109 -0.33 . . . . 0.43 110.109 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.4 mt -124.56 132.9 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.132 -0.486 . . . . 0.44 110.362 -178.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 t0 58.43 33.06 22.8 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.46 0.648 . . . . 1.33 110.113 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.39 12.78 80.09 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 116.034 -0.53 . . . . 0.51 113.138 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -134.23 141.08 46.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.979 0.418 . . . . 1.97 111.622 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' A' ' 104' ' ' LYS . 37.6 ttmt -66.76 119.54 12.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.879 0.371 . . . . 1.87 110.524 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.571 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.53 159.38 16.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.047 -0.524 . . . . 0.21 110.605 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.622 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 32.1 t-20 -113.07 116.34 29.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.214 -0.661 . . . . 1.53 109.214 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 38.4 t -111.6 140.94 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.107 0.479 . . . . 0.38 111.947 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -160.16 147.9 16.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.737 -0.665 . . . . 0.61 109.484 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.9 mt -55.72 127.56 30.59 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.802 -0.444 . . . . 0.23 109.802 171.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.61 -31.53 72.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.291 0.849 . . . . 0.22 113.291 -168.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -69.02 -17.83 63.96 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.444 -0.502 . . . . 0.44 110.857 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 81.2 mt -71.64 -7.9 50.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.924 -0.58 . . . . 0.44 112.182 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.17 13.36 1.09 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.373 -0.918 . . . . 0.38 112.449 -175.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 C-N-CA 120.761 -0.376 . . . . 0.58 110.546 -179.833 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 111.807 0.299 . . . . 0.76 111.807 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 76.3 mtp -56.5 -49.82 73.59 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.764 0.653 . . . . 0.91 112.764 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -104.72 -0.13 27.72 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.969 -0.457 . . . . 0.86 111.156 -173.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.8 p -109.97 -21.73 12.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.855 0.359 . . . . 0.25 111.881 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.502 ' HB2' HG22 ' A' ' 32' ' ' THR . 81.8 tttt -92.67 117.61 30.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 1.28 110.054 -175.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.593 HD11 ' HA ' ' A' ' 89' ' ' ALA . 63.3 mt -102.06 133.83 44.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.903 -0.59 . . . . 0.21 110.365 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -98.6 124.09 43.17 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.35 -0.981 . . . . 0.3 108.35 171.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.2 t -109.73 130.98 61.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.378 -0.601 . . . . 0.25 109.378 -177.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.23 165.25 20.47 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.086 -0.578 . . . . 0.24 111.697 -173.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.99 10.18 67.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.565 -0.826 . . . . 0.24 112.959 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.4 132.25 94.3 Favored Pre-proline 0 C--N 1.326 -0.425 0 C-N-CA 122.249 0.22 . . . . 0.2 110.629 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.674 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 18.2 Cg_endo -59.71 143.23 99.68 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.086 1.857 . . . . 0.28 109.79 174.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -62.32 -14.19 36.78 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.033 0.383 . . . . 0.54 112.033 -173.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -75.07 -22.15 58.51 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 121.125 -0.23 . . . . 2.37 111.3 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.6 m -54.65 130.72 41.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.816 0.341 . . . . 0.35 111.571 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.8 p -111.91 165.38 12.14 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.306 -0.406 . . . . 0.26 110.326 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -54.0 -35.35 61.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.705 -0.68 . . . . 0.55 110.653 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.764 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 18.1 ttmm -65.5 -42.18 92.39 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.655 -0.702 . . . . 2.24 110.616 177.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.1 m -61.61 -39.06 89.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.348 . . . . 0.39 111.051 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.0 mt -70.9 -43.4 68.39 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.742 -0.466 . . . . 0.26 109.742 177.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.451 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 52.7 t-80 -56.05 -56.29 22.61 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.601 -0.727 . . . . 0.7 110.818 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.764 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 3.6 mm-40 -59.61 -39.94 85.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.748 0.277 . . . . 2.68 111.748 -175.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -70.53 -55.49 8.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.992 0.425 . . . . 0.85 111.676 -174.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.667 ' HB2' HD11 ' A' ' 61' ' ' ILE . 82.5 m-85 -74.34 -27.33 60.63 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.743 1.016 . . . . 0.24 113.743 -176.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.472 ' HG2' ' HB ' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -61.16 -24.48 66.32 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.07 0.462 . . . . 1.93 111.453 -177.537 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -72.29 -7.61 50.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.972 -0.558 . . . . 2.06 111.993 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 82.9 m-85 -91.62 -31.67 15.78 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.421 0.526 . . . . 0.3 112.421 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.837 ' HA3' ' HB3' ' A' ' 88' ' ' SER . . . 155.99 60.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 119.033 -1.556 . . . . 1.36 114.273 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.429 ' HB3' ' HE3' ' A' ' 84' ' ' LYS . 2.8 m-20 72.82 123.17 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 124.309 1.044 . . . . 0.65 113.382 171.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.667 HD11 ' HB2' ' A' ' 55' ' ' PHE . 13.7 mt -101.11 136.85 30.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.147 -0.933 . . . . 0.22 112.059 172.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.518 ' OE1' ' HE2' ' A' ' 84' ' ' LYS . 13.8 mm-40 -80.87 -48.98 11.62 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.515 -1.221 . . . . 1.59 109.958 170.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -154.54 139.13 16.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.006 -0.997 . . . . 2.3 110.555 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.472 ' HB2' HD13 ' A' ' 61' ' ' ILE . . . -137.36 114.62 10.9 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.188 -0.301 . . . . 0.17 110.188 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.6 m -139.04 149.24 23.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.88 0.372 . . . . 0.32 111.578 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.8 t -91.92 134.02 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.462 -0.94 . . . . 0.23 108.462 170.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.847 HG12 ' HA2' ' A' ' 79' ' ' GLY . 29.9 mm -83.19 125.53 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 CA-C-O 121.662 0.744 . . . . 0.17 111.071 -170.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 75' ' ' SER . 37.9 p -123.71 148.0 46.95 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 114.601 -1.181 . . . . 0.34 108.838 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.418 ' OD2' ' HB2' ' A' ' 71' ' ' ASN . 4.7 t70 -57.52 136.41 56.71 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.843 -0.343 . . . . 0.64 110.394 173.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -57.61 -39.2 76.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.05 0.453 . . . . 5.24 111.167 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.418 ' HB2' ' OD2' ' A' ' 69' ' ' ASP . 52.6 m-80 -75.02 -58.68 3.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 1.65 112.012 -172.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.3 p -92.39 -21.72 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.151 0.426 . . . . 0.71 112.151 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 64.9 mt-30 67.89 27.89 7.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.367 -0.833 . . . . 1.42 110.183 177.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -87.67 135.51 33.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.985 -1.007 . . . . 2.2 109.468 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.513 ' HA ' HG22 ' A' ' 68' ' ' THR . 11.0 p -58.54 129.75 43.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.243 0.544 . . . . 1.15 111.079 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -90.8 11.53 22.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.862 -0.608 . . . . 2.16 110.424 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.3 18.27 79.81 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.457 -0.792 . . . . 0.26 113.735 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.578 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 47.9 p90 -157.38 168.56 27.0 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.745 -0.465 . . . . 0.46 109.745 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.847 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -159.28 -171.7 25.44 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.339 -0.934 . . . . 0.14 112.629 -175.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.435 ' HD1' HD11 ' A' ' 67' ' ' ILE . 55.4 m-85 -131.27 139.24 49.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.563 0.697 . . . . 0.31 112.028 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.6 t -125.59 127.33 71.53 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 114.612 -1.176 . . . . 0.29 109.027 167.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.8 m -104.47 110.18 22.35 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 107.554 -1.276 . . . . 0.26 107.554 173.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.549 ' CE ' ' HB2' ' A' ' 88' ' ' SER . 97.7 mmm -84.53 153.7 23.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.105 0.479 . . . . 0.43 109.854 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.518 ' HE2' ' OE1' ' A' ' 62' ' ' GLU . 26.4 ttmt -73.69 -17.95 61.07 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.165 -0.925 . . . . 1.46 110.636 -176.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -145.27 154.22 42.13 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.994 -0.548 . . . . 1.02 110.433 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -65.17 -42.54 93.57 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.705 -0.68 . . . . 2.95 111.826 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.741 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -66.83 -39.92 87.81 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.28 -0.168 . . . . 0.27 111.179 -175.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.837 ' HB3' ' HA3' ' A' ' 59' ' ' GLY . 1.4 p -61.83 -44.01 97.69 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.356 0.598 . . . . 0.55 109.785 177.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.593 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -62.19 -41.56 98.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.07 -0.968 . . . . 0.17 110.917 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -70.73 -38.77 73.61 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 112.571 0.582 . . . . 2.08 112.571 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.741 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 90.1 mtt180 -61.7 -36.25 80.36 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 119.811 -0.756 . . . . 3.23 109.091 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -64.9 -37.63 88.27 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.067 -0.969 . . . . 0.2 111.551 172.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 78.5 m -80.01 -11.65 59.77 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.559 0.219 . . . . 0.32 111.521 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HA ' ' HD2' ' A' ' 94' ' ' LYS . 24.1 tptp -71.23 -26.47 62.94 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.677 -0.409 . . . . 2.9 110.404 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -103.26 89.73 2.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 108.011 -1.107 . . . . 1.12 108.011 168.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.614 ' C ' HD22 ' A' ' 97' ' ' ASN . 58.1 Cg_endo -70.03 -14.39 35.16 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.733 2.288 . . . . 0.48 113.283 -171.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.614 HD22 ' C ' ' A' ' 96' ' ' PRO . 1.1 m-80 -128.87 59.87 46.35 Favored Pre-proline 0 C--O 1.237 0.447 0 N-CA-C 111.754 0.279 . . . . 0.67 111.754 -175.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.422 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 5.3 Cg_exo -73.1 146.12 40.59 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.587 2.192 . . . . 0.48 112.205 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.5 mm -84.79 110.98 19.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.097 0.475 . . . . 0.43 110.409 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.5 mt -121.98 119.87 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.727 -0.669 . . . . 0.44 110.012 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.47 ' HB3' ' CG ' ' A' ' 43' ' ' PRO . 22.2 t70 59.67 34.95 22.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.808 0.813 . . . . 1.33 110.516 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.4 0.31 86.53 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.592 -0.731 . . . . 0.51 113.672 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.674 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 17.9 tpt180 -116.05 137.59 51.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.057 0.428 . . . . 1.97 110.331 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.464 ' HD3' ' OD1' ' A' ' 97' ' ' ASN . 24.2 ttmm -71.43 119.34 15.44 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.641 -0.503 . . . . 1.87 109.641 173.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.03 159.78 16.04 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.212 -0.449 . . . . 0.21 110.999 -176.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -104.04 135.03 46.31 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.415 -0.811 . . . . 1.53 109.471 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 61.6 t -132.15 127.22 57.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.219 -0.446 . . . . 0.38 111.139 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -159.28 148.22 18.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.881 -0.6 . . . . 0.61 109.87 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.8 mt -56.11 127.35 30.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.12 -0.696 . . . . 0.23 109.12 172.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.72 -35.39 68.49 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.906 0.706 . . . . 0.22 112.906 -170.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.36 -19.15 65.39 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.77 -0.372 . . . . 0.44 111.206 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.5 mt -72.52 -7.85 52.13 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 112.236 0.458 . . . . 0.44 112.236 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.12 13.56 2.34 Favored Glycine 0 C--N 1.322 -0.231 0 N-CA-C 111.144 -0.782 . . . . 0.38 111.144 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.435 -0.383 . . . . 0.58 110.548 -179.308 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.497 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 120.727 0.299 . . . . 0.76 111.242 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.3 ttt -53.62 -51.49 62.91 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.316 0.487 . . . . 0.91 112.316 -177.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -105.33 0.75 27.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.826 0.346 . . . . 0.86 111.709 -174.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.497 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 10.7 p -108.13 -17.27 14.07 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.95 0.405 . . . . 0.25 111.426 -176.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -89.34 113.87 25.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.088 -0.505 . . . . 1.28 110.239 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.658 HD11 ' HA ' ' A' ' 89' ' ' ALA . 57.6 mt -100.61 134.64 39.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.632 -0.713 . . . . 0.21 110.721 -178.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -100.43 123.62 44.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.523 -0.547 . . . . 0.3 109.523 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.592 HG13 HG22 ' A' ' 107' ' ' VAL . 5.2 t -106.22 125.83 61.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.945 -0.391 . . . . 0.25 109.945 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.4 157.46 20.84 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.168 -0.539 . . . . 0.24 112.212 -173.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.51 ' O ' ' HD3' ' A' ' 103' ' ' ARG . . . 84.49 5.51 86.82 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.719 -0.753 . . . . 0.24 112.639 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.93 130.04 93.97 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 122.315 0.246 . . . . 0.2 111.201 -177.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HB2' ' HD2' ' A' ' 45' ' ' HIS . 9.9 Cg_endo -57.08 143.37 93.14 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.21 1.94 . . . . 0.28 109.91 170.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -59.93 -28.35 67.53 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.193 0.442 . . . . 0.54 112.193 -172.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.452 ' HD2' ' HB2' ' A' ' 43' ' ' PRO . 2.9 p80 -81.12 -8.3 59.74 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.723 0.638 . . . . 2.37 112.723 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.429 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 49.9 m -56.13 138.63 49.42 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.86 0.362 . . . . 0.35 111.165 173.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.5 p -110.71 161.76 15.44 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 121.22 0.533 . . . . 0.26 111.256 -176.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -53.8 -34.26 58.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.413 -0.812 . . . . 0.55 110.72 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -67.28 -36.22 81.1 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 116.21 -0.45 . . . . 2.24 110.805 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.421 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 22.1 m -65.37 -39.14 91.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.703 0.287 . . . . 0.39 111.174 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.41 HD22 ' HE1' ' A' ' 55' ' ' PHE . 25.1 mt -70.41 -42.82 71.13 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.095 -0.642 . . . . 0.26 109.765 177.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -55.81 -56.51 19.71 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.687 -0.688 . . . . 0.7 110.656 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HA ' ' OE2' ' A' ' 56' ' ' GLU . 9.3 pt-20 -60.29 -41.99 94.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.889 0.7 . . . . 2.68 112.889 -174.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -69.78 -52.91 21.1 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.382 -0.372 . . . . 0.85 110.857 -175.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.426 ' HB2' HD11 ' A' ' 61' ' ' ILE . 71.3 m-85 -74.56 -27.66 60.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.614 0.968 . . . . 0.24 113.614 -177.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.428 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 11.1 pt-20 -64.53 -21.29 66.65 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.009 0.433 . . . . 1.93 110.945 -175.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -72.26 -7.75 51.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.233 -0.439 . . . . 2.06 111.181 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -91.62 1.44 57.15 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.63 -0.259 . . . . 0.3 111.553 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.92 -120.16 1.23 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.159 -1.019 . . . . 1.36 113.003 -175.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -126.97 128.98 47.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.65 0.262 . . . . 0.65 110.727 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.465 HG12 ' SD ' ' A' ' 83' ' ' MET . 31.6 mt -100.83 139.92 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.216 0.532 . . . . 0.22 111.883 176.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -88.04 -46.23 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.132 -0.94 . . . . 1.59 110.073 172.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -145.69 134.82 22.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.976 -0.557 . . . . 2.3 109.603 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.46 113.18 10.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 118.193 0.452 . . . . 0.17 110.08 173.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 m -140.06 150.56 21.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.063 0.458 . . . . 0.32 112.038 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.8 t -95.27 134.21 33.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 107.226 -1.398 . . . . 0.23 107.226 168.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.874 HG12 ' HA2' ' A' ' 79' ' ' GLY . 21.5 mm -82.45 128.42 38.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.248 0.547 . . . . 0.17 111.438 -167.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.444 HG22 ' HA ' ' A' ' 75' ' ' SER . 38.8 p -124.87 145.69 49.67 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.013 -0.994 . . . . 0.34 108.933 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 73' ' ' GLN . 25.9 t70 -59.01 138.23 57.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.002 0.371 . . . . 0.64 112.002 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -27.88 67.68 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.761 1.023 . . . . 5.24 113.761 -177.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -97.71 -50.52 4.43 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.55 0.574 . . . . 1.65 112.55 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.1 p -89.69 -16.47 30.34 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.25 0.548 . . . . 0.71 111.111 -175.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 17.2 mt-30 62.08 29.46 17.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.768 -1.106 . . . . 1.42 110.648 175.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -92.81 133.37 36.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.793 -0.64 . . . . 2.2 110.401 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.444 ' HA ' HG22 ' A' ' 68' ' ' THR . 3.8 m -59.19 128.02 35.06 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 123.476 0.485 . . . . 1.15 110.365 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.586 ' HD2' HG22 ' A' ' 67' ' ' ILE . 78.1 mtt180 -89.72 12.98 15.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.711 -0.677 . . . . 2.16 111.398 -171.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.25 11.17 82.1 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.695 -0.764 . . . . 0.26 113.501 -178.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 35.1 p90 -152.32 167.11 29.74 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.758 -0.46 . . . . 0.46 109.758 178.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.874 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -154.75 -176.53 27.1 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.414 -0.898 . . . . 0.14 112.794 -175.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.434 ' HD1' HD11 ' A' ' 67' ' ' ILE . 53.0 m-85 -133.83 138.92 45.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.93 0.872 . . . . 0.31 112.238 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.2 t -128.73 126.64 65.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 114.156 -1.384 . . . . 0.29 109.662 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.4 m -104.54 110.21 22.41 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.748 -0.834 . . . . 0.26 108.748 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.596 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.5 mmm -84.36 140.21 31.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.336 0.589 . . . . 0.43 109.918 -178.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.427 ' HE3' ' HB2' ' A' ' 84' ' ' LYS . 32.5 ttmt -68.78 -16.45 63.8 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.939 -1.028 . . . . 1.46 110.609 -179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.8 146.42 39.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.067 -0.515 . . . . 1.02 110.459 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -67.0 -42.45 84.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.934 -0.575 . . . . 2.95 112.417 -176.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.649 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -62.45 -41.03 98.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.809 0.337 . . . . 0.27 110.379 -176.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -62.4 -43.73 98.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.832 -0.622 . . . . 0.55 109.845 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.658 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -62.19 -41.52 98.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.338 -0.846 . . . . 0.17 110.959 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -69.68 -39.07 77.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.921 -0.581 . . . . 2.08 111.376 -176.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.649 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 21.2 mmm180 -60.66 -39.26 87.71 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.848 -0.427 . . . . 3.23 109.848 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.58 94.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.609 -0.723 . . . . 0.2 111.295 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.8 m -82.13 -14.81 55.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.535 . . . . 0.32 112.215 -176.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 94' ' ' LYS . 42.6 tptt -70.81 -31.79 68.64 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.007 -0.277 . . . . 2.9 111.259 -172.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -109.23 88.18 5.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 108.032 -1.099 . . . . 1.12 108.032 169.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.566 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 58.0 Cg_endo -69.72 0.9 4.95 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 123.499 2.799 . . . . 0.48 114.28 -168.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 16.6 m120 -125.59 57.62 18.62 Favored Pre-proline 0 CA--C 1.535 0.384 0 N-CA-C 112.339 0.496 . . . . 0.67 112.339 -177.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.512 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 3.4 Cg_exo -74.85 144.67 31.1 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.449 2.099 . . . . 0.48 111.887 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.2 mm -82.18 109.41 16.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.113 -0.699 . . . . 0.43 109.113 173.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.1 mt -123.89 121.58 62.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.684 -0.689 . . . . 0.44 110.221 -177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.5 t0 59.79 37.98 21.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.914 0.864 . . . . 1.33 110.26 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.94 11.92 85.09 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 114.851 -1.068 . . . . 0.51 114.189 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.51 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 60.9 ttt180 -133.81 149.87 51.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.416 0.608 . . . . 1.97 110.474 176.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -77.99 121.76 24.64 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.54 -0.541 . . . . 1.87 109.54 174.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.521 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.13 159.34 16.39 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.771 -0.649 . . . . 0.21 110.623 -176.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.566 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 77.9 m-20 -114.84 115.6 27.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.144 -0.687 . . . . 1.53 109.144 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.592 HG22 HG13 ' A' ' 39' ' ' VAL . 57.2 t -120.26 138.28 51.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.956 0.407 . . . . 0.38 111.833 -174.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -158.77 159.7 35.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.914 -0.585 . . . . 0.61 110.188 174.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 98.4 mt -55.77 132.23 48.78 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.85 0.357 . . . . 0.23 110.066 173.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.89 -33.12 75.0 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.25 0.833 . . . . 0.22 113.25 -167.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -68.08 -12.11 60.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.851 0.358 . . . . 0.44 111.243 -175.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.4 mt -74.87 -8.1 55.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.44 112.126 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -153.35 13.51 0.61 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.401 -0.904 . . . . 0.38 112.051 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 120.99 0.424 . . . . 0.58 111.707 -177.437 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.642 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 7.0 p . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 112.062 0.393 . . . . 0.76 112.062 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.2 ttt -51.9 -55.5 19.81 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.407 0.892 . . . . 0.91 113.407 -171.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.553 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 66.1 m-85 -107.74 -2.08 20.37 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.628 -0.429 . . . . 0.86 112.046 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.1 p -102.64 -18.93 15.0 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 111.857 0.317 . . . . 0.25 111.857 -173.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.642 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 87.1 tttt -92.95 113.55 25.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.354 0.597 . . . . 1.28 110.903 -177.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.615 HD11 ' HA ' ' A' ' 89' ' ' ALA . 64.0 mt -100.88 134.52 40.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.3 -0.864 . . . . 0.21 110.372 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -93.55 123.1 36.64 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.258 -0.645 . . . . 0.3 109.258 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 6.5 t -105.11 119.7 54.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.984 -0.747 . . . . 0.25 108.984 178.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.85 154.46 19.3 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.824 -0.703 . . . . 0.24 112.337 -172.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.49 23.84 64.25 Favored Glycine 0 C--O 1.23 -0.137 0 C-N-CA 120.729 -0.748 . . . . 0.24 112.807 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.9 mt -78.99 140.99 58.14 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.639 0.256 . . . . 0.2 110.818 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 33.9 Cg_endo -66.49 148.22 83.48 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.049 1.833 . . . . 0.28 110.239 171.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -64.85 -14.67 60.22 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 111.764 0.283 . . . . 0.54 111.764 -176.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -75.53 -21.56 57.85 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 121.048 -0.261 . . . . 2.37 111.296 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -55.91 131.12 46.3 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.182 0.515 . . . . 0.35 112.038 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.7 p -111.42 163.62 13.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.637 -0.71 . . . . 0.26 109.765 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.06 -35.52 64.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.298 0.571 . . . . 0.55 110.679 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 2.7 ttmp? -62.37 -42.19 99.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.801 . . . . 2.24 110.893 175.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.7 m -61.22 -39.36 89.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.39 110.934 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.7 mt -71.4 -44.73 64.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.074 0.464 . . . . 0.26 110.139 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -56.4 -55.49 32.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.437 -0.802 . . . . 0.7 111.018 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 8.4 mm-40 -61.2 -41.39 96.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.858 0.688 . . . . 2.68 112.858 -177.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -70.72 -53.17 16.62 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.569 -0.453 . . . . 0.85 111.731 -176.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.49 ' CD1' HG21 ' A' ' 81' ' ' VAL . 62.2 m-85 -71.92 -26.64 62.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.328 0.862 . . . . 0.24 113.328 -176.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -64.1 -17.59 63.57 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.741 -0.384 . . . . 1.93 111.19 -176.795 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -67.47 -8.86 36.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 2.06 111.77 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -91.66 -14.33 30.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.586 0.231 . . . . 0.3 110.989 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 160.72 -107.23 0.31 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.744 -0.741 . . . . 1.36 112.231 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -131.21 136.09 47.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.088 0.471 . . . . 0.65 111.457 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.468 HG12 ' SD ' ' A' ' 83' ' ' MET . 47.6 mt -107.79 134.4 49.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.639 -0.709 . . . . 0.22 110.202 177.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -81.42 -41.91 21.18 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.037 -0.727 . . . . 1.59 109.037 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -159.41 138.79 11.35 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.182 -0.917 . . . . 2.3 110.34 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.438 ' HB2' HG21 ' A' ' 61' ' ' ILE . . . -136.26 115.42 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.106 -0.331 . . . . 0.17 110.106 178.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.8 m -137.6 152.01 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.953 0.406 . . . . 0.32 111.909 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.26 134.74 33.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.196 -1.039 . . . . 0.23 108.196 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.489 HG12 ' HA2' ' A' ' 79' ' ' GLY . 20.5 mm -89.07 126.39 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.823 0.82 . . . . 0.17 111.136 -169.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.619 HG22 ' HA ' ' A' ' 75' ' ' SER . 74.2 p -122.16 154.16 37.8 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.359 -1.291 . . . . 0.34 109.518 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -56.0 125.48 21.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.808 -0.442 . . . . 0.64 109.808 171.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -59.15 -22.0 60.23 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.749 0.648 . . . . 5.24 112.749 -173.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -90.28 -53.68 4.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.76 0.281 . . . . 1.65 111.76 -175.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.6 p -91.97 -17.56 24.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.963 0.411 . . . . 0.71 111.334 -176.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 64.67 32.02 11.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.499 -0.773 . . . . 1.42 110.748 175.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -100.64 140.97 34.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.027 -0.988 . . . . 2.2 109.713 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.619 ' HA ' HG22 ' A' ' 68' ' ' THR . 33.4 t -59.3 135.2 57.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.286 0.565 . . . . 1.15 111.616 -176.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -97.04 10.03 40.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.246 -0.888 . . . . 2.16 109.564 176.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.6 23.28 75.68 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 114.965 -1.016 . . . . 0.26 114.224 177.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.515 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 55.3 p90 -156.01 168.42 27.3 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 117.326 0.563 . . . . 0.46 109.55 175.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.489 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -154.14 -175.29 25.21 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.187 -1.006 . . . . 0.14 112.731 -175.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -130.9 137.63 49.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.614 0.721 . . . . 0.31 110.929 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.49 HG21 ' CD1' ' A' ' 55' ' ' PHE . 25.3 t -122.11 122.02 65.48 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 114.569 -1.196 . . . . 0.29 109.013 172.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.9 m -108.37 110.48 22.04 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 107.958 -1.127 . . . . 0.26 107.958 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.583 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.1 mmm -83.17 144.46 29.8 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.714 -0.476 . . . . 0.43 109.714 -176.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -67.22 -17.82 64.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.453 -0.794 . . . . 1.46 110.175 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.75 146.43 39.51 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.83 -0.623 . . . . 1.02 110.946 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.553 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 71.1 ttt180 -62.76 -42.89 99.89 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.419 -0.809 . . . . 2.95 112.602 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.66 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -64.56 -41.04 96.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.8 0.333 . . . . 0.27 110.896 -175.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 m -62.99 -40.57 98.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.038 -0.528 . . . . 0.55 109.838 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.615 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -62.85 -41.22 99.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.58 -0.736 . . . . 0.17 111.199 178.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -69.29 -36.76 77.37 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.892 -0.595 . . . . 2.08 111.462 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 54.7 mtt180 -59.54 -41.83 90.98 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.302 -0.629 . . . . 3.23 109.302 177.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.14 -38.8 90.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.101 -0.954 . . . . 0.2 111.374 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 65.9 m -81.3 -10.31 59.59 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 112.355 0.502 . . . . 0.32 112.355 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -73.31 -32.92 64.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.607 0.241 . . . . 2.9 110.756 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -106.78 91.19 5.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.342 -0.984 . . . . 1.12 108.342 171.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.493 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 53.2 Cg_endo -69.68 -4.03 13.15 Favored 'Trans proline' 0 N--CA 1.467 -0.082 0 C-N-CA 123.055 2.504 . . . . 0.48 113.85 -172.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.531 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 16.2 m120 -127.28 58.64 31.85 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 113.15 0.796 . . . . 0.67 113.15 -175.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.467 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 4.3 Cg_exo -74.22 142.79 30.99 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.555 2.17 . . . . 0.48 112.204 177.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.1 mm -81.31 112.13 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 110.057 -0.349 . . . . 0.43 110.057 174.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.6 mt -122.21 120.23 60.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.206 -0.452 . . . . 0.44 110.21 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.2 t70 58.86 39.26 24.12 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 122.04 0.924 . . . . 1.33 110.483 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.0 13.75 80.74 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.202 -0.908 . . . . 0.51 113.272 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.465 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 62.6 ttt180 -134.22 139.88 46.1 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 117.139 0.47 . . . . 1.97 110.901 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.523 ' HD3' ' HB3' ' A' ' 97' ' ' ASN . 24.5 ttmm -74.83 126.9 31.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 1.87 110.172 178.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -108.56 160.11 16.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.585 -0.734 . . . . 0.21 110.678 -177.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.493 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 89.0 m-20 -110.69 114.93 28.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.994 -0.743 . . . . 1.53 108.994 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.3 t -116.44 131.32 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.278 0.473 . . . . 0.38 112.278 -173.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -155.51 157.69 37.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.61 110.225 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.6 mt -55.78 127.71 31.41 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.651 -0.5 . . . . 0.23 109.651 172.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.6 -31.74 72.94 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.623 0.971 . . . . 0.22 113.623 -166.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -68.15 -14.52 63.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.847 0.356 . . . . 0.44 111.501 -175.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.4 mt -78.21 -8.2 58.04 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.395 0.517 . . . . 0.44 112.395 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -141.64 11.82 2.69 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 120.138 -1.03 . . . . 0.38 112.997 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.916 0.358 . . . . 0.58 110.95 -178.229 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.665 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 6.9 p . . . . . 0 N--CA 1.449 -0.523 0 N-CA-C 111.932 0.345 . . . . 0.76 111.932 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.3 ttt -51.7 -53.71 36.19 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.842 0.682 . . . . 0.91 112.842 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -106.45 1.0 25.22 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.072 0.397 . . . . 0.86 112.072 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.592 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 34.0 p -106.06 -17.25 14.39 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.788 -0.365 . . . . 0.25 111.845 -175.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.665 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 84.7 tttt -93.69 113.58 25.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.484 0.659 . . . . 1.28 110.829 -176.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' A' ' 89' ' ' ALA . 63.5 mt -102.03 134.73 41.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.915 -1.039 . . . . 0.21 110.786 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -99.6 124.11 44.5 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.407 -0.59 . . . . 0.3 109.407 174.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.66 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.4 t -106.77 127.02 62.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.484 -0.562 . . . . 0.25 109.484 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.18 161.28 21.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.295 -0.479 . . . . 0.24 112.51 -175.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.23 13.08 83.68 Favored Glycine 0 C--O 1.229 -0.185 0 C-N-CA 121.087 -0.578 . . . . 0.24 112.707 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.8 mt -76.51 138.07 67.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.534 0.207 . . . . 0.2 111.017 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.496 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 9.6 Cg_endo -59.68 142.4 98.7 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.867 1.711 . . . . 0.28 110.269 171.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -58.53 -30.96 67.49 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.419 0.526 . . . . 0.54 112.419 -171.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.441 ' HD2' ' HB2' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -82.65 -3.74 56.72 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.821 0.674 . . . . 2.37 112.821 -176.137 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.2 m -55.08 139.06 42.71 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 117.907 0.321 . . . . 0.35 110.527 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.1 p -111.02 162.48 14.82 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 120.94 0.4 . . . . 0.26 110.794 -177.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.04 -33.58 57.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.445 -0.798 . . . . 0.55 110.269 176.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.627 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 40.2 ttmt -62.11 -44.46 96.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.834 -0.621 . . . . 2.24 110.985 176.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.3 m -61.43 -39.69 91.73 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.214 0.531 . . . . 0.39 110.809 -176.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 48.7 mt -71.28 -39.81 71.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.791 -0.64 . . . . 0.26 109.931 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -55.9 -55.54 31.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.873 -1.058 . . . . 0.7 110.792 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 7.0 mm-40 -60.0 -44.95 94.2 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.931 0.715 . . . . 2.68 112.931 -177.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.05 -52.86 20.63 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.385 -0.526 . . . . 0.85 112.109 -173.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -70.22 -27.75 64.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.508 0.929 . . . . 0.24 113.508 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -68.1 -15.28 63.52 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.378 -0.529 . . . . 1.93 110.881 -177.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -68.95 -10.66 58.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.445 -0.343 . . . . 2.06 111.27 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 72.3 m-85 -91.9 -15.97 27.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.64 -0.255 . . . . 0.3 111.466 177.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.31 -115.31 0.63 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.53 -0.843 . . . . 1.36 112.786 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.44 ' HB2' ' HB3' ' A' ' 84' ' ' LYS . 29.4 m-20 -125.96 132.9 51.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.731 -0.276 . . . . 0.65 110.307 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.456 HG12 ' SD ' ' A' ' 83' ' ' MET . 43.1 mt -105.21 140.24 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.168 0.509 . . . . 0.22 112.349 178.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -77.3 -54.55 6.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.129 -0.941 . . . . 1.59 109.545 170.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -155.44 141.99 18.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.299 -1.319 . . . . 2.3 110.11 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.51 115.3 12.13 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.023 -0.362 . . . . 0.17 110.023 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.15 152.66 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.606 0.595 . . . . 0.32 112.606 -174.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.2 t -98.13 135.54 32.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.316 -0.994 . . . . 0.23 108.316 171.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.501 HG12 ' HA2' ' A' ' 79' ' ' GLY . 8.0 mm -83.91 127.7 39.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.679 0.752 . . . . 0.17 112.093 -170.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.602 HG22 ' HA ' ' A' ' 75' ' ' SER . 34.5 p -126.32 147.42 49.73 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 114.487 -1.233 . . . . 0.34 109.29 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.09 132.25 52.35 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.64 110.65 174.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.479 ' CD ' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -63.68 -21.13 66.22 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.266 0.839 . . . . 5.24 113.266 -176.474 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -90.08 -55.98 3.4 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.748 -0.381 . . . . 1.65 111.867 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.7 p -92.54 -18.65 22.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.949 0.351 . . . . 0.71 111.949 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 68.42 30.69 5.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.313 -0.858 . . . . 1.42 111.03 176.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -95.95 134.67 38.67 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.211 -0.45 . . . . 2.2 110.008 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.602 ' HA ' HG22 ' A' ' 68' ' ' THR . 38.1 t -59.56 137.27 58.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.244 0.545 . . . . 1.15 111.635 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -96.39 7.98 45.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.52 -0.764 . . . . 2.16 110.746 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.18 24.62 73.05 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.496 -0.859 . . . . 0.26 113.99 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.66 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 34.7 p90 -158.54 168.47 26.83 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 117.159 0.479 . . . . 0.46 109.942 175.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.501 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -152.8 -175.46 24.32 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.004 -1.093 . . . . 0.14 113.562 -173.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -132.52 139.87 48.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.421 0.629 . . . . 0.31 111.593 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.9 t -122.0 129.94 74.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 114.703 -1.135 . . . . 0.29 109.747 170.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -105.33 109.6 21.64 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.99 -1.115 . . . . 0.26 107.99 173.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.456 ' SD ' HG12 ' A' ' 61' ' ' ILE . 95.2 mmm -85.4 150.02 25.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.186 0.517 . . . . 0.43 110.919 -177.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.44 ' HB3' ' HB2' ' A' ' 60' ' ' ASP . 20.1 ttmm -72.71 -18.36 61.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.298 -0.864 . . . . 1.46 110.696 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -146.8 150.95 36.31 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.213 0.53 . . . . 1.02 110.595 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.87 -38.97 83.74 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.258 -0.883 . . . . 2.95 112.402 -177.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -63.54 -44.39 94.34 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 121.013 -0.275 . . . . 0.27 110.677 -175.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -63.86 -39.73 94.89 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.579 -0.526 . . . . 0.55 109.579 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.528 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -62.5 -42.05 99.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.588 -0.733 . . . . 0.17 111.091 178.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.06 -37.21 75.44 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 120.599 -0.44 . . . . 2.08 111.209 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 21.0 mtp180 -60.3 -36.98 79.12 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.373 -0.531 . . . . 3.23 109.83 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.478 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -63.17 -41.67 99.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.875 -0.602 . . . . 0.2 111.312 173.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 61.3 m -82.35 -10.73 58.96 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.933 0.345 . . . . 0.32 111.933 -175.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 94' ' ' LYS . 12.1 tptm -74.37 -28.15 60.99 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.97 0.415 . . . . 2.9 110.161 -174.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -112.07 89.95 12.73 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 107.692 -1.225 . . . . 1.12 107.692 168.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.454 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.1 Cg_endo -69.55 3.62 2.57 Favored 'Trans proline' 0 N--CA 1.466 -0.124 0 C-N-CA 123.046 2.497 . . . . 0.48 114.314 -170.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.693 ' HB3' ' HD2' ' A' ' 104' ' ' LYS . 7.5 m120 -131.34 62.92 67.8 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 113.012 0.745 . . . . 0.67 113.012 -176.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.27 147.3 29.19 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.293 1.995 . . . . 0.48 112.325 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 42.1 mm -83.45 116.87 28.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.93 0.395 . . . . 0.43 110.522 172.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.6 mt -125.84 120.61 57.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.949 -0.568 . . . . 0.44 110.194 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.409 ' OD1' ' NE2' ' A' ' 45' ' ' HIS . 36.2 t70 59.58 37.38 22.66 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 122.04 0.924 . . . . 1.33 110.414 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.86 5.08 68.63 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.553 -0.749 . . . . 0.51 112.994 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.496 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 24.9 tpt180 -115.82 143.66 45.1 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.903 0.383 . . . . 1.97 110.395 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.693 ' HD2' ' HB3' ' A' ' 97' ' ' ASN . 16.7 tppt? -77.92 119.51 21.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.126 -0.488 . . . . 1.87 109.896 175.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.496 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.05 158.17 17.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.06 0.457 . . . . 0.21 111.573 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 7.4 m-20 -114.39 115.57 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.476 -0.784 . . . . 1.53 109.061 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.457 HG22 HG13 ' A' ' 39' ' ' VAL . 90.7 t -118.27 132.46 68.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 112.428 0.529 . . . . 0.38 112.428 -176.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -152.08 156.25 39.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.577 -0.738 . . . . 0.61 110.079 174.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.8 mt -55.19 130.29 41.56 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.625 -0.509 . . . . 0.23 109.625 172.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.56 -35.9 77.18 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.097 0.777 . . . . 0.22 113.097 -169.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -69.41 -14.92 63.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.893 0.378 . . . . 0.44 110.889 -174.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.6 mt -75.21 -8.8 57.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.065 -0.516 . . . . 0.44 111.801 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -137.05 13.86 3.82 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.445 -0.883 . . . . 0.38 111.959 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.433 0 N-CA-C 109.981 -0.377 . . . . 0.58 109.981 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.654 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 1.2 p . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 111.844 0.312 . . . . 0.76 111.844 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.1 ttt -52.23 -54.66 28.29 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 112.345 0.498 . . . . 0.91 112.345 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.598 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 64.4 m-85 -106.28 -3.35 21.33 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.807 -0.357 . . . . 0.86 111.654 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.645 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 24.0 p -101.7 -23.07 14.29 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.735 -0.386 . . . . 0.25 111.854 -173.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.654 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 58.5 tttm -90.81 113.5 25.66 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.238 0.542 . . . . 1.28 110.308 -177.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.496 HD11 ' HA ' ' A' ' 89' ' ' ALA . 71.2 mt -101.51 135.12 39.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.441 -0.8 . . . . 0.21 109.96 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -98.37 127.86 44.5 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.264 -0.643 . . . . 0.3 109.264 174.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.43 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.2 t -110.49 128.03 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 N-CA-C 109.323 -0.621 . . . . 0.25 109.323 177.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.21 161.78 21.34 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.93 -0.577 . . . . 0.24 112.055 -175.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.5 25.34 75.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.821 -0.704 . . . . 0.24 112.565 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.5 mt -79.57 138.71 54.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.826 0.346 . . . . 0.2 110.914 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 24.0 Cg_endo -64.46 139.54 65.19 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 121.872 1.715 . . . . 0.28 110.037 173.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -63.01 -16.53 60.14 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.123 0.416 . . . . 0.54 112.123 -172.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -76.54 -22.05 54.88 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 111.879 0.326 . . . . 2.37 111.879 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.499 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 55.1 m -57.58 141.77 46.89 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.212 0.449 . . . . 0.35 112.212 -175.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.8 p -112.88 162.03 16.29 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 120.945 0.403 . . . . 0.26 111.116 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.03 -36.02 62.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.69 -0.686 . . . . 0.55 110.109 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -61.81 -42.42 98.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.529 -0.759 . . . . 2.24 110.481 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.521 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 9.6 m -64.86 -37.85 89.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.992 -0.549 . . . . 0.39 111.415 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 mt -70.36 -43.87 69.29 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.346 -0.613 . . . . 0.26 109.346 177.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -56.04 -56.39 21.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.819 -1.082 . . . . 0.7 110.394 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.521 ' OE2' ' HA ' ' A' ' 50' ' ' THR . 7.7 pt-20 -61.36 -40.12 93.15 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.09 0.774 . . . . 2.68 113.09 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -69.98 -52.21 26.14 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.706 -0.398 . . . . 0.85 111.55 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -72.32 -28.72 63.25 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.552 0.945 . . . . 0.24 113.552 -176.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.476 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 12.7 pt-20 -65.93 -18.49 65.38 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.825 -0.35 . . . . 1.93 111.374 -175.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -68.54 -7.0 28.53 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.187 0.44 . . . . 2.06 112.187 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -91.73 -16.11 27.39 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.96 0.409 . . . . 0.3 110.861 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.5 -109.01 0.3 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.893 -0.67 . . . . 1.36 111.779 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -133.61 148.02 51.53 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.902 -0.407 . . . . 0.65 109.902 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.444 HG12 ' SD ' ' A' ' 83' ' ' MET . 33.0 mt -112.77 141.42 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.129 0.49 . . . . 0.22 111.656 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -79.99 -49.61 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.148 -0.933 . . . . 1.59 109.928 173.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -158.25 137.29 11.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.722 -1.127 . . . . 2.3 109.72 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.73 115.78 12.4 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.121 -0.232 . . . . 0.17 110.398 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.1 m -138.42 150.97 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.952 0.406 . . . . 0.32 112.044 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.76 133.91 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 107.622 -1.251 . . . . 0.23 107.622 170.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.787 HG12 ' HA2' ' A' ' 79' ' ' GLY . 26.0 mm -82.93 125.43 40.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-O 121.722 0.772 . . . . 0.17 111.212 -169.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.422 ' HB ' ' C ' ' A' ' 73' ' ' GLN . 53.9 p -120.0 149.19 42.55 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.582 -1.19 . . . . 0.34 108.816 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.27 126.11 23.53 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 110.028 -0.36 . . . . 0.64 110.028 173.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -57.94 -23.34 53.18 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.206 0.447 . . . . 5.24 112.206 -174.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -84.08 -55.21 4.33 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.516 -0.311 . . . . 1.65 111.231 -176.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.5 p -99.69 -14.4 18.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.578 0.584 . . . . 0.71 112.578 -174.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.422 ' C ' ' HB ' ' A' ' 68' ' ' THR . 36.9 mt-30 64.49 30.78 12.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.402 0.62 . . . . 1.42 110.702 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -91.34 134.99 34.13 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.442 -0.799 . . . . 2.2 109.606 175.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.419 ' HA ' HG22 ' A' ' 68' ' ' THR . 4.4 p -59.85 134.87 57.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.331 0.586 . . . . 1.15 111.713 -176.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.9 mtp85 -96.4 13.44 27.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.878 -0.601 . . . . 2.16 110.656 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.87 16.66 79.29 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.526 -0.761 . . . . 0.26 114.463 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 44.3 p90 -151.76 166.82 30.18 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 117.373 0.586 . . . . 0.46 109.622 176.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.787 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -155.35 -178.62 29.77 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.416 -0.897 . . . . 0.14 113.037 -176.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.59 ' HE2' ' HZ3' ' A' ' 36' ' ' LYS . 51.8 m-85 -134.19 140.3 46.41 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.649 0.738 . . . . 0.31 112.412 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.7 t -127.2 131.85 70.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 114.27 -1.332 . . . . 0.29 109.661 171.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 m -107.77 110.56 22.41 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.584 -1.265 . . . . 0.26 107.584 171.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.477 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 95.3 mmm -84.28 149.46 26.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.92 0.391 . . . . 0.43 110.103 -177.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -76.08 -18.35 59.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.647 -0.706 . . . . 1.46 110.57 -175.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.59 149.02 40.2 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.078 0.466 . . . . 1.02 111.084 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.598 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 14.8 ttm180 -60.9 -43.59 98.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.63 -0.714 . . . . 2.95 112.507 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.637 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -65.02 -40.97 95.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.477 -0.329 . . . . 0.27 110.875 -174.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.7 m -62.49 -43.97 97.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.29 0.567 . . . . 0.55 109.983 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.496 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -63.01 -43.66 98.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.17 -0.923 . . . . 0.17 111.154 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -70.24 -35.34 73.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.035 -0.529 . . . . 2.08 111.604 -176.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 27.7 mmm180 -59.15 -42.92 91.83 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.592 -0.522 . . . . 3.23 109.592 175.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.91 -36.57 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.549 -0.751 . . . . 0.2 111.081 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 63.0 m -81.28 -10.11 59.64 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.333 0.494 . . . . 0.32 112.333 -176.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -75.25 -28.69 59.94 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.63 -0.428 . . . . 2.9 110.183 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -108.32 85.45 2.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.687 -0.857 . . . . 1.12 108.687 171.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.5 -9.21 25.61 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 123.25 2.633 . . . . 0.48 114.051 -169.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.645 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 14.8 m120 -132.24 65.4 74.96 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 112.593 0.59 . . . . 0.67 112.593 -173.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 3.4 Cg_exo -74.83 147.56 34.89 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.869 2.38 . . . . 0.48 111.7 176.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.9 mm -82.09 111.04 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.929 0.395 . . . . 0.43 110.018 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.2 mt -125.13 120.29 57.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 0.44 110.101 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.2 t0 60.68 34.92 19.92 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 122.087 0.946 . . . . 1.33 110.1 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 82.35 3.44 90.54 Favored Glycine 0 C--N 1.331 0.26 0 CA-C-N 115.077 -0.965 . . . . 0.51 113.495 176.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.422 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 14.7 tpt180 -125.74 137.08 53.8 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.903 0.351 . . . . 1.97 110.676 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.412 ' CG ' ' HB3' ' A' ' 97' ' ' ASN . 22.9 ttmm -74.08 124.66 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.476 -0.564 . . . . 1.87 109.476 173.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.645 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.88 159.42 16.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.159 -0.473 . . . . 0.21 111.076 -173.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -101.95 113.87 27.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.529 -0.915 . . . . 1.53 108.529 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 57.7 t -120.34 128.13 75.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.064 0.459 . . . . 0.38 111.99 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -155.18 154.34 32.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.556 -0.747 . . . . 0.61 109.999 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.3 mt -56.95 130.54 46.42 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.741 -0.466 . . . . 0.23 109.741 172.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.69 -29.24 69.2 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.332 0.864 . . . . 0.22 113.332 -167.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -67.21 -18.35 65.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.985 0.421 . . . . 0.44 111.212 -177.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.94 -19.36 65.71 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 113.086 0.772 . . . . 0.44 113.086 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -147.34 14.81 1.46 Allowed Glycine 0 CA--C 1.52 0.372 0 C-N-CA 119.973 -1.108 . . . . 0.38 112.933 -173.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 120.878 0.37 . . . . 0.58 111.298 -174.907 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.595 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 11.0 p . . . . . 0 CA--C 1.528 0.118 0 N-CA-C 111.85 0.315 . . . . 0.76 111.85 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.3 ttt -52.11 -51.49 57.46 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.226 0.454 . . . . 0.91 112.226 -176.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.454 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 94.7 m-85 -102.86 3.34 36.49 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.791 0.293 . . . . 0.86 111.791 -175.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.595 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 17.0 p -112.94 -13.79 13.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.023 0.379 . . . . 0.25 112.023 -175.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -89.06 113.01 24.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.968 0.413 . . . . 1.28 110.382 -178.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.515 HD11 ' HA ' ' A' ' 89' ' ' ALA . 60.8 mt -100.05 134.63 38.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.882 -0.599 . . . . 0.21 110.919 -178.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.446 ' HD2' ' CE2' ' A' ' 80' ' ' PHE . 60.8 t80 -101.32 124.6 47.27 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.661 -0.496 . . . . 0.3 109.661 172.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.53 HG13 HG22 ' A' ' 107' ' ' VAL . 7.5 t -109.0 126.84 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 109.348 -0.612 . . . . 0.25 109.348 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.29 158.98 21.28 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 116.113 -0.494 . . . . 0.24 112.414 -172.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.66 20.61 79.82 Favored Glycine 0 C--O 1.229 -0.176 0 C-N-CA 121.051 -0.595 . . . . 0.24 112.611 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.4 mt -74.9 133.19 76.24 Favored Pre-proline 0 C--N 1.323 -0.546 0 C-N-CA 122.293 0.237 . . . . 0.2 111.381 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 10.0 Cg_endo -56.82 139.01 88.0 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.946 1.764 . . . . 0.28 110.691 172.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -60.41 -28.24 68.1 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.798 0.666 . . . . 0.54 112.798 -169.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -83.85 -3.24 57.74 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.482 0.919 . . . . 2.37 113.482 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.457 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 35.7 m -59.46 140.92 55.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.275 0.489 . . . . 0.35 111.383 173.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.5 p -111.7 163.94 13.58 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.119 0.485 . . . . 0.26 110.943 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.47 -35.9 61.06 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.515 -0.766 . . . . 0.55 110.627 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -61.75 -42.4 98.92 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.851 -0.613 . . . . 2.24 110.938 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.6 m -65.68 -37.65 87.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.699 0.285 . . . . 0.39 110.961 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.75 -46.71 68.11 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.224 -0.591 . . . . 0.26 109.659 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -55.8 -55.96 26.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.376 -0.829 . . . . 0.7 111.221 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.699 ' HG3' ' N ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -62.22 -40.37 95.88 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.499 0.555 . . . . 2.68 112.499 -174.396 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.699 ' N ' ' HG3' ' A' ' 53' ' ' GLU . 25.0 t80 -70.44 -52.61 20.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.965 0.412 . . . . 0.85 110.915 -175.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.48 ' HB2' HD11 ' A' ' 61' ' ' ILE . 64.8 m-85 -71.8 -27.03 62.66 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.818 0.673 . . . . 0.24 112.818 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.43 -15.32 63.26 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.378 -0.529 . . . . 1.93 110.954 -176.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -67.29 -10.56 51.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.689 0.28 . . . . 2.06 111.061 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.432 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 40.5 m-85 -91.73 -19.36 22.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.458 -0.337 . . . . 0.3 110.87 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.87 -111.79 0.48 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.326 -0.94 . . . . 1.36 112.947 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -125.35 124.3 41.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.802 0.335 . . . . 0.65 111.321 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.48 HD11 ' HB2' ' A' ' 55' ' ' PHE . 34.8 mt -95.91 133.15 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.604 0.716 . . . . 0.22 111.231 173.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -82.37 -43.21 17.68 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.704 -1.135 . . . . 1.59 109.243 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -160.1 136.15 8.62 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.61 -0.723 . . . . 2.3 109.881 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.44 116.78 12.73 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.11 -0.368 . . . . 0.17 110.887 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.1 m -138.22 149.15 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 112.628 0.603 . . . . 0.32 112.628 -178.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.8 t -91.03 134.62 29.11 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.136 0 N-CA-C 108.5 -0.926 . . . . 0.23 108.5 169.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.772 HG12 ' HA2' ' A' ' 79' ' ' GLY . 41.2 mm -90.2 124.13 42.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.661 0.743 . . . . 0.17 111.338 -169.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.699 HG22 ' HA ' ' A' ' 75' ' ' SER . 48.4 p -124.99 154.41 41.28 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 114.862 -1.063 . . . . 0.34 108.665 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -57.42 134.03 55.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.064 0.459 . . . . 0.64 111.579 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -58.34 -26.62 63.32 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.813 -0.631 . . . . 5.24 112.549 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -96.28 -53.39 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.016 0.376 . . . . 1.65 112.016 -175.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.5 p -92.12 -21.18 20.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.158 0.504 . . . . 0.71 111.769 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.459 ' C ' ' HB ' ' A' ' 68' ' ' THR . 84.7 mt-30 68.24 21.77 8.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.974 -1.012 . . . . 1.42 110.467 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -75.04 129.83 38.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.689 -0.856 . . . . 2.2 108.689 175.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.699 ' HA ' HG22 ' A' ' 68' ' ' THR . 8.7 m -56.9 126.18 25.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.117 0.484 . . . . 1.15 110.364 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -86.59 10.68 14.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.332 0.587 . . . . 2.16 110.657 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.16 18.3 79.44 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.438 -0.801 . . . . 0.26 114.191 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.516 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 49.0 p90 -155.22 167.29 30.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 117.331 0.566 . . . . 0.46 110.294 177.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.772 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -150.11 -178.12 24.73 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.882 -0.675 . . . . 0.14 111.913 -177.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.446 ' CE2' ' HD2' ' A' ' 38' ' ' PHE . 51.2 m-85 -133.11 138.3 46.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.9 0.857 . . . . 0.31 112.084 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.443 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 24.6 t -125.42 121.48 60.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 114.23 -1.35 . . . . 0.29 109.142 174.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.4 m -107.04 110.87 23.1 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.451 -0.944 . . . . 0.26 108.451 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.637 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.8 mmm -84.55 141.0 31.02 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.233 0.539 . . . . 0.43 110.317 -177.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -68.02 -17.29 64.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.017 -0.992 . . . . 1.46 110.509 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.05 147.66 38.97 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.997 -0.547 . . . . 1.02 109.975 -178.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.454 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 48.4 ttt180 -67.16 -41.58 85.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.625 -0.261 . . . . 2.95 111.703 -176.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.664 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -64.01 -40.7 96.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.753 0.311 . . . . 0.27 110.312 -173.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.6 m -61.88 -43.79 98.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.704 -0.68 . . . . 0.55 109.707 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.637 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.35 -44.0 97.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.443 -0.799 . . . . 0.17 111.218 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -71.43 -33.63 69.58 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.785 -0.643 . . . . 2.08 111.585 -175.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.664 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 30.8 mmt180 -57.95 -43.85 86.65 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.441 -0.577 . . . . 3.23 109.441 173.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -61.38 -37.39 83.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.482 -0.781 . . . . 0.2 111.257 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 66.9 m -80.94 -10.24 59.74 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.143 0.423 . . . . 0.32 112.143 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -65.51 -34.64 78.75 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 122.22 -0.3 . . . . 2.9 110.61 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -110.07 92.78 13.69 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 108.72 -0.844 . . . . 1.12 108.72 171.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.439 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.1 Cg_endo -69.85 -2.65 10.61 Favored 'Trans proline' 0 CA--C 1.521 -0.139 0 C-N-CA 122.742 2.295 . . . . 0.48 113.419 -174.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.679 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 8.9 m120 -130.88 60.0 50.06 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 112.395 0.516 . . . . 0.67 112.395 -177.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 2.9 Cg_exo -73.78 147.53 39.81 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.456 2.104 . . . . 0.48 111.796 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.1 mm -82.17 110.13 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.486 -0.561 . . . . 0.43 109.486 174.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.2 mt -123.32 123.78 68.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.854 -0.612 . . . . 0.44 110.029 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.4 t0 59.23 36.75 23.84 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.886 0.85 . . . . 1.33 109.996 176.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.16 11.53 84.82 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.138 -0.937 . . . . 0.51 113.928 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -134.97 141.44 46.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.029 0.415 . . . . 1.97 111.613 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.549 ' HE3' ' HB3' ' A' ' 97' ' ' ASN . 2.7 ttmp? -70.42 124.41 24.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 1.87 110.072 174.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.679 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -108.23 159.9 16.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.87 -0.605 . . . . 0.21 110.645 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 4.7 m-20 -111.12 115.18 28.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.375 -0.602 . . . . 1.53 109.375 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.53 HG22 HG13 ' A' ' 39' ' ' VAL . 98.0 t -120.54 136.47 57.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 112.265 0.469 . . . . 0.38 112.265 -175.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -153.34 155.55 36.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.583 -0.735 . . . . 0.61 109.574 173.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.4 mt -55.77 127.54 30.6 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.897 0.38 . . . . 0.23 109.989 173.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.16 71.08 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.551 0.945 . . . . 0.22 113.551 -167.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -69.2 -16.93 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.991 0.424 . . . . 0.44 111.134 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 mt -79.88 -6.59 57.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.44 111.633 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -136.86 13.93 3.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.211 -0.995 . . . . 0.38 112.422 -176.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.415 0 O-C-N 122.809 -0.23 . . . . 0.58 110.434 179.134 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.629 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 112.767 0.654 . . . . 0.76 112.767 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 50.0 mtp -53.37 -52.27 59.81 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.211 0.819 . . . . 0.91 113.211 -177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.459 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 77.0 m-85 -106.74 -1.36 22.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.536 0.607 . . . . 0.86 111.301 -177.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.629 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 32.5 p -102.98 -25.5 13.43 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.138 0.421 . . . . 0.25 112.138 -175.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.494 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 62.0 tttm -85.94 113.43 22.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.968 0.413 . . . . 1.28 110.421 -176.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' A' ' 89' ' ' ALA . 63.0 mt -101.5 134.94 40.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.844 -0.616 . . . . 0.21 111.332 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.402 ' HD2' ' CZ ' ' A' ' 80' ' ' PHE . 74.9 t80 -101.04 127.78 47.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.987 -0.552 . . . . 0.3 109.563 174.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.471 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.6 t -114.67 130.51 68.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 110.169 -0.308 . . . . 0.25 110.169 178.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.31 163.05 21.24 Favored Glycine 0 C--O 1.227 -0.327 0 CA-C-N 116.005 -0.543 . . . . 0.24 111.945 -174.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.65 10.37 84.78 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.805 -0.712 . . . . 0.24 112.597 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.8 mt -69.75 132.62 88.83 Favored Pre-proline 0 C--N 1.327 -0.401 0 C-N-CA 122.749 0.42 . . . . 0.2 111.563 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.635 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 10.7 Cg_endo -57.07 139.88 91.16 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.215 1.943 . . . . 0.28 110.213 173.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -62.31 -30.66 71.31 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.288 0.477 . . . . 0.54 112.288 -170.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -77.72 -6.38 53.77 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.433 0.531 . . . . 2.37 112.433 -177.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.426 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 24.6 m -55.8 141.68 37.7 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.704 0.288 . . . . 0.35 111.057 177.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.0 p -111.09 161.34 16.02 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.189 0.519 . . . . 0.26 110.717 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 64' ' ' ALA . 3.1 m-20 -53.51 -33.82 55.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.378 -0.828 . . . . 0.55 110.204 178.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.582 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 27.4 ttpp -61.98 -43.7 98.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.438 -0.801 . . . . 2.24 110.894 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -63.35 -39.04 93.44 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.96 0.409 . . . . 0.39 110.923 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.2 mt -70.45 -43.91 68.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.245 -0.434 . . . . 0.26 110.276 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.421 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 47.7 t-80 -54.3 -55.96 23.16 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.315 -0.857 . . . . 0.7 110.851 176.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 35.3 mm-40 -60.54 -44.29 96.25 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.418 0.525 . . . . 2.68 112.418 -174.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -65.15 -52.64 53.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.934 0.397 . . . . 0.85 111.394 -172.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.598 ' HB2' HD11 ' A' ' 61' ' ' ILE . 84.9 m-85 -72.52 -24.21 61.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.972 -0.558 . . . . 0.24 112.125 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HG2' HD12 ' A' ' 61' ' ' ILE . 4.2 mm-40 -60.02 -26.58 66.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.203 0.525 . . . . 1.93 111.284 -177.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -72.47 -9.94 59.17 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.189 -0.46 . . . . 2.06 111.617 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.403 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 44.8 m-85 -92.0 -23.48 19.52 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.157 0.503 . . . . 0.3 109.998 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 158.14 -170.91 35.0 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.693 -0.685 . . . . 1.36 111.77 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.498 ' HB3' ' HE3' ' A' ' 84' ' ' LYS . 7.0 m-20 -68.36 128.06 35.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.043 0.449 . . . . 0.65 111.761 -176.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.598 HD11 ' HB2' ' A' ' 55' ' ' PHE . 47.9 mt -98.41 134.96 35.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 115.773 -0.649 . . . . 0.22 110.326 170.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -83.83 -43.93 14.87 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.411 -0.588 . . . . 1.59 109.411 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -151.12 137.4 18.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.584 -0.735 . . . . 2.3 109.872 178.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.482 ' HB2' HG21 ' A' ' 61' ' ' ILE . . . -135.66 115.06 12.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.646 -0.501 . . . . 0.17 109.646 177.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.406 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 17.6 m -138.17 148.16 25.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.027 0.442 . . . . 0.32 112.131 -175.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.5 t -90.45 133.95 30.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 108.24 -1.022 . . . . 0.23 108.24 169.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.903 HG12 ' HA2' ' A' ' 79' ' ' GLY . 39.4 mm -86.01 124.05 39.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.578 0.704 . . . . 0.17 111.042 -169.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.536 HG22 ' HA ' ' A' ' 75' ' ' SER . 20.2 p -122.06 144.94 48.61 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.948 -1.024 . . . . 0.34 109.005 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.49 135.71 56.63 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.902 0.382 . . . . 0.64 111.336 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -60.29 -29.37 68.78 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 112.993 0.738 . . . . 5.24 112.993 -175.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -94.23 -22.6 18.31 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.808 -0.558 . . . . 1.65 112.393 -172.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.5 p -124.17 -23.64 4.5 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.545 0.688 . . . . 0.71 111.133 -170.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 68.43 25.13 6.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 113.818 -1.537 . . . . 1.42 110.01 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 68' ' ' THR . 46.9 mmtm -86.04 150.41 24.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.616 -0.72 . . . . 2.2 109.672 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.536 ' HA ' HG22 ' A' ' 68' ' ' THR . 19.8 m -78.6 121.8 25.11 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.849 -0.426 . . . . 1.15 109.849 -170.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.671 ' HD3' HG22 ' A' ' 67' ' ' ILE . 45.1 mtp85 -86.68 12.06 11.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.871 0.322 . . . . 2.16 111.871 -172.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.71 13.37 83.09 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.95 -0.643 . . . . 0.26 114.592 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 42.5 p90 -154.88 168.26 27.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 117.171 0.486 . . . . 0.46 110.135 177.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.903 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -152.12 -178.76 27.14 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.722 -0.751 . . . . 0.14 112.197 -176.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.409 ' HD1' HD11 ' A' ' 67' ' ' ILE . 54.3 m-85 -133.72 139.83 46.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.905 0.86 . . . . 0.31 112.067 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.491 HG21 ' CD1' ' A' ' 55' ' ' PHE . 23.5 t -123.61 122.1 64.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 113.868 -1.515 . . . . 0.29 109.068 172.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.2 m -105.36 110.64 23.07 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 107.951 -1.129 . . . . 0.26 107.951 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.646 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 91.2 mmm -83.93 143.02 30.12 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.262 0.553 . . . . 0.43 110.517 -175.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.498 ' HE3' ' HB3' ' A' ' 60' ' ' ASP . 26.8 ttmt -69.98 -18.42 63.34 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.839 -1.073 . . . . 1.46 110.159 -178.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -141.55 148.38 39.24 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.148 0.499 . . . . 1.02 111.552 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.459 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 74.3 ttt180 -60.98 -43.12 99.27 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.334 -0.848 . . . . 2.95 112.914 -178.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -66.69 -41.78 87.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.875 0.369 . . . . 0.27 110.926 -173.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.9 m -62.86 -41.33 99.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.058 -0.519 . . . . 0.55 110.1 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.646 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.83 -41.59 99.39 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.405 -0.816 . . . . 0.17 111.057 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.08 -39.79 78.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.052 -0.522 . . . . 2.08 110.935 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 31.0 mmm180 -58.53 -41.84 86.43 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.064 0.459 . . . . 3.23 109.952 178.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.403 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -60.09 -40.97 91.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.358 -0.837 . . . . 0.2 111.551 176.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 62.3 m -82.19 -10.17 59.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.751 0.649 . . . . 0.32 112.751 -175.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -64.94 -39.22 93.17 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 122.236 -0.29 . . . . 2.9 110.618 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -107.84 98.14 23.92 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 108.416 -0.957 . . . . 1.12 108.416 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.41 -5.48 16.1 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 123.306 2.671 . . . . 0.48 114.614 -169.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.579 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 9.3 m120 -134.95 66.37 68.04 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 112.409 0.522 . . . . 0.67 112.409 -175.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.0 145.08 35.13 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.956 1.771 . . . . 0.48 111.414 174.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.8 mm -85.39 111.74 21.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.895 -0.409 . . . . 0.43 109.895 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.3 mt -120.0 121.02 64.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.784 -0.643 . . . . 0.44 109.865 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.5 t70 59.66 34.76 22.25 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.884 0.85 . . . . 1.33 109.979 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.38 5.93 78.86 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.474 -0.785 . . . . 0.51 112.711 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.635 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 30.7 tpt180 -114.93 139.99 49.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.834 0.349 . . . . 1.97 111.031 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -74.83 120.13 19.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.616 -0.513 . . . . 1.87 109.616 173.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.579 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.57 157.84 17.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.649 0.262 . . . . 0.21 110.64 177.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -105.35 114.2 28.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.959 -0.756 . . . . 1.53 108.959 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.421 HG22 HG13 ' A' ' 39' ' ' VAL . 47.8 t -118.03 128.15 75.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.935 0.398 . . . . 0.38 111.86 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -157.18 156.43 32.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.56 -0.745 . . . . 0.61 109.898 175.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.1 mt -55.95 127.41 30.24 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.778 -0.453 . . . . 0.23 109.778 173.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.92 -28.2 69.37 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.264 0.839 . . . . 0.22 113.264 -167.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -14.93 63.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.783 0.325 . . . . 0.44 111.304 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.41 -7.94 52.37 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.474 0.546 . . . . 0.44 112.474 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.14 14.68 1.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.23 -0.986 . . . . 0.38 112.562 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 120.946 0.403 . . . . 0.58 111.404 -178.337 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.686 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 25.8 p . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 112.259 0.466 . . . . 0.76 112.259 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 17.6 mtp -54.53 -51.85 63.86 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.889 0.7 . . . . 0.91 112.889 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.95 -3.57 21.59 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 118.12 0.418 . . . . 0.86 111.363 -174.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.464 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 13.9 p -106.01 -19.62 13.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.578 -0.283 . . . . 0.25 111.642 -174.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.686 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 60.0 tttm -90.88 113.17 25.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.372 0.606 . . . . 1.28 109.974 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.55 HD11 ' HA ' ' A' ' 89' ' ' ALA . 61.3 mt -98.08 131.52 44.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.39 -0.823 . . . . 0.21 110.1 -178.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.422 ' HD2' ' CE2' ' A' ' 80' ' ' PHE . 59.5 t80 -101.97 122.27 43.74 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.259 -0.645 . . . . 0.3 109.259 173.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.629 HG13 HG22 ' A' ' 107' ' ' VAL . 4.3 t -106.33 130.33 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 109.14 -0.689 . . . . 0.25 109.14 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.45 148.02 17.0 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 121.004 -0.617 . . . . 0.24 111.991 -173.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.1 16.28 76.98 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.844 -0.693 . . . . 0.24 112.216 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.416 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 70.3 mt -66.49 129.8 94.14 Favored Pre-proline 0 CA--C 1.513 -0.472 0 CA-C-O 120.787 0.327 . . . . 0.2 110.929 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.518 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 18.5 Cg_endo -59.07 138.91 88.18 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 122.063 1.842 . . . . 0.28 109.784 174.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -58.88 -20.88 55.29 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.694 0.627 . . . . 0.54 112.694 -171.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 21.9 p80 -77.86 -15.26 59.18 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.801 0.667 . . . . 2.37 112.801 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.572 ' HA ' ' OD2' ' A' ' 101' ' ' ASP . 98.6 m -55.09 138.85 43.32 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.156 0.428 . . . . 0.35 112.156 177.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.1 p -117.18 165.78 13.02 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.113 0.482 . . . . 0.26 110.938 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.507 ' OD1' ' HA ' ' A' ' 65' ' ' VAL . 5.9 m-20 -53.28 -35.26 59.89 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.739 -0.664 . . . . 0.55 110.716 176.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.653 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 38.1 ttpt -66.67 -36.68 83.11 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.804 -0.635 . . . . 2.24 110.546 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.448 HG21 ' OD2' ' A' ' 101' ' ' ASP . 23.0 m -62.05 -40.7 96.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.084 0.468 . . . . 0.39 110.248 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.3 mt -70.26 -40.38 74.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.948 -0.569 . . . . 0.26 109.864 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.549 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 51.2 t-80 -56.63 -57.32 12.91 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.355 -0.839 . . . . 0.7 111.117 176.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 15.9 mm-40 -60.26 -46.27 90.41 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.337 0.495 . . . . 2.68 112.337 -176.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.532 ' HA ' HE21 ' A' ' 57' ' ' GLN . 83.7 t80 -70.59 -54.72 10.93 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.308 -0.557 . . . . 0.85 111.677 -172.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.528 ' HB2' HD11 ' A' ' 61' ' ' ILE . 65.4 m-85 -71.33 -28.27 63.97 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.59 0.959 . . . . 0.24 113.59 -174.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 52' ' ' HIS . 10.1 pt-20 -72.57 -12.56 61.11 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 119.471 -0.891 . . . . 1.93 111.189 -175.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.532 HE21 ' HA ' ' A' ' 54' ' ' TYR . 48.3 mt-30 -67.7 -8.06 32.13 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.774 0.321 . . . . 2.06 110.933 176.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 45.3 m-85 -93.43 -16.68 24.31 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.952 0.406 . . . . 0.3 111.028 177.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.96 -109.99 0.38 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.875 -0.679 . . . . 1.36 112.35 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -126.24 132.71 51.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.616 0.246 . . . . 0.65 111.249 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.528 HD11 ' HB2' ' A' ' 55' ' ' PHE . 37.4 mt -103.39 135.05 42.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.806 0.336 . . . . 0.22 110.656 171.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -86.05 -38.36 17.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.756 -0.656 . . . . 1.59 110.584 172.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -155.46 134.59 12.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.803 -0.635 . . . . 2.3 109.783 -174.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.41 116.43 13.31 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.247 -0.279 . . . . 0.17 110.247 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.507 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 25.4 m -136.31 141.93 39.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.863 0.363 . . . . 0.32 111.525 -175.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.5 t -96.28 134.26 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.875 -1.157 . . . . 0.23 107.875 169.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.95 HG12 ' HA2' ' A' ' 79' ' ' GLY . 31.0 mm -86.39 124.37 40.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.724 0.773 . . . . 0.17 111.156 -169.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.585 HG22 ' HA ' ' A' ' 75' ' ' SER . 41.4 p -120.92 146.21 46.87 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.622 -1.172 . . . . 0.34 108.633 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -56.66 130.89 47.26 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.711 -0.396 . . . . 0.64 111.112 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -16.24 61.59 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.286 1.217 . . . . 5.24 114.286 -174.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -92.12 -52.07 4.88 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.579 0.627 . . . . 1.65 111.625 178.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.0 p -90.22 -21.12 22.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.35 -0.387 . . . . 0.71 112.027 -174.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 66.55 30.76 8.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.297 -0.865 . . . . 1.42 110.144 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -104.42 141.19 36.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.721 -0.672 . . . . 2.2 109.54 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.585 ' HA ' HG22 ' A' ' 68' ' ' THR . 3.4 p -60.44 133.97 56.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.205 0.526 . . . . 1.15 112.018 -174.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -94.66 13.28 24.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.588 -0.733 . . . . 2.16 111.571 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.02 14.01 80.59 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 115.753 -0.658 . . . . 0.26 114.368 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -151.31 168.26 25.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 117.52 0.66 . . . . 0.46 110.34 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.95 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -160.05 -176.89 32.63 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.712 -0.756 . . . . 0.14 113.01 -176.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.448 ' HD1' HD11 ' A' ' 67' ' ' ILE . 50.0 m-85 -135.9 139.37 43.27 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.753 0.787 . . . . 0.31 112.208 -176.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 64.6 t -124.28 133.37 69.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.387 -1.279 . . . . 0.29 109.823 171.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -107.63 107.78 18.75 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 107.865 -1.161 . . . . 0.26 107.865 171.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.586 ' SD ' ' HA ' ' A' ' 89' ' ' ALA . 18.7 mtp -88.17 149.53 23.83 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.294 -0.562 . . . . 0.43 109.85 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -71.75 -17.54 62.19 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.299 -0.864 . . . . 1.46 111.24 -173.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -143.46 149.74 38.01 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.1 0.476 . . . . 1.02 110.605 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -60.51 -41.58 94.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.484 -0.78 . . . . 2.95 111.788 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.673 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -63.46 -41.54 98.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.758 0.313 . . . . 0.27 110.967 -175.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 m -63.88 -44.32 93.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.97 0.414 . . . . 0.55 109.915 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.586 ' HA ' ' SD ' ' A' ' 83' ' ' MET . . . -63.58 -42.66 98.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.521 -0.763 . . . . 0.17 111.015 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -69.45 -39.12 77.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.817 -0.629 . . . . 2.08 111.602 -175.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.673 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 21.6 mmm180 -64.48 -37.66 88.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.47 -0.492 . . . . 3.23 109.679 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -62.87 -39.45 94.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.79 -0.641 . . . . 0.2 110.886 175.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 67.9 m -83.09 -9.63 59.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.32 112.009 -177.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 94' ' ' LYS . 21.4 tptp -64.67 -31.37 72.56 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 121.109 -0.236 . . . . 2.9 111.442 -172.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -113.32 103.36 55.52 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 107.683 -1.228 . . . . 1.12 107.683 170.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.477 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 54.1 Cg_endo -68.9 7.25 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.865 2.377 . . . . 0.48 114.02 -171.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.754 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 9.6 m120 -132.79 60.24 48.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 112.763 0.653 . . . . 0.67 112.763 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.13 149.28 35.96 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.375 2.05 . . . . 0.48 112.342 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.2 mm -81.68 111.62 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.442 -0.344 . . . . 0.43 110.42 174.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.4 mt -125.51 121.46 60.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.377 -0.374 . . . . 0.44 110.218 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.572 ' OD2' ' HA ' ' A' ' 46' ' ' THR . 0.2 OUTLIER 58.54 40.84 23.36 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.804 -0.635 . . . . 1.33 111.202 179.285 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.88 13.58 80.65 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 115.669 -0.696 . . . . 0.51 113.81 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -133.45 133.94 42.92 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.513 -0.404 . . . . 1.97 110.563 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -73.1 123.48 23.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.309 -0.626 . . . . 1.87 109.309 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.754 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -108.6 161.28 15.22 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.828 -0.624 . . . . 0.21 111.148 -173.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 5.5 m-20 -106.05 113.48 27.04 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.752 -0.833 . . . . 1.53 108.752 176.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.629 HG22 HG13 ' A' ' 39' ' ' VAL . 43.8 t -125.41 142.37 42.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.183 0.516 . . . . 0.38 112.375 -173.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.449 HD22 ' C ' ' A' ' 108' ' ' ASN . 0.3 OUTLIER -157.55 158.15 35.11 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.376 -0.829 . . . . 0.61 109.785 173.341 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.15 127.31 28.59 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 109.485 -0.561 . . . . 0.23 109.485 173.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.77 -31.01 66.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.873 1.064 . . . . 0.22 113.873 -167.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -68.27 -18.82 64.63 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.858 -0.337 . . . . 0.44 111.643 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.1 mt -73.98 -8.16 55.09 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.702 0.63 . . . . 0.44 112.702 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -150.95 13.38 0.85 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.452 -0.88 . . . . 0.38 111.95 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.007 0.432 . . . . 0.58 111.304 -178.436 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.902 HG22 ' HB2' ' A' ' 36' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 112.807 0.669 . . . . 0.76 112.807 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.6 mtp -54.25 -50.35 67.4 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 113.599 0.963 . . . . 0.91 113.599 -173.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -104.27 -0.82 27.86 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.878 -0.513 . . . . 0.86 110.635 -172.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.0 p -107.67 -17.51 14.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.153 -0.476 . . . . 0.25 111.345 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.902 ' HB2' HG22 ' A' ' 32' ' ' THR . 86.8 tttt -91.4 113.77 26.12 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.281 0.562 . . . . 1.28 110.761 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.553 HD11 ' HA ' ' A' ' 89' ' ' ALA . 70.5 mt -101.24 134.48 41.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.4 -0.818 . . . . 0.21 110.138 178.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -98.02 125.08 42.81 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.104 -0.702 . . . . 0.3 109.104 174.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 t -106.34 125.84 62.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.714 -0.476 . . . . 0.25 109.714 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.69 150.19 17.79 Favored Glycine 0 N--CA 1.445 -0.719 0 CA-C-N 115.668 -0.696 . . . . 0.24 111.814 -174.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.62 11.8 65.52 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.401 -0.904 . . . . 0.24 112.522 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.3 mt -73.24 138.03 78.59 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-O 120.98 0.419 . . . . 0.2 111.909 -175.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 36.9 Cg_endo -69.24 147.75 66.92 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.102 1.868 . . . . 0.28 110.271 172.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -64.48 -16.67 62.88 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.814 0.302 . . . . 0.54 111.814 -174.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -77.75 -21.21 52.12 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.884 0.327 . . . . 2.37 111.884 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.3 m -56.06 134.0 52.29 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 120.836 0.351 . . . . 0.35 111.535 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.7 p -111.31 163.67 13.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.26 110.184 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.57 -35.86 61.26 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.923 -0.581 . . . . 0.55 110.526 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -67.3 -37.57 83.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.713 -0.676 . . . . 2.24 110.623 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.9 m -63.71 -41.57 98.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 0.39 111.06 -178.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.6 mt -70.49 -42.98 70.65 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.381 -0.6 . . . . 0.26 109.381 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -56.19 -56.01 26.15 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.227 -0.897 . . . . 0.7 110.204 176.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.671 ' HA ' ' OE2' ' A' ' 56' ' ' GLU . 2.0 pt-20 -61.37 -37.32 82.95 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.617 0.599 . . . . 2.68 112.617 -176.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -70.9 -53.92 13.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.069 0.461 . . . . 0.85 110.91 -177.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.454 ' HB2' HD11 ' A' ' 61' ' ' ILE . 68.8 m-85 -73.04 -27.91 62.03 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.021 0.748 . . . . 0.24 113.021 -177.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.671 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 11.8 pt-20 -64.51 -18.32 64.7 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.75 -0.38 . . . . 1.93 111.091 -175.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -66.96 -8.09 27.06 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.97 0.359 . . . . 2.06 111.97 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -92.11 -9.15 43.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.511 0.196 . . . . 0.3 111.164 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.22 -104.82 0.26 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.71 -0.757 . . . . 1.36 112.508 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.59 ' HB3' ' HE3' ' A' ' 84' ' ' LYS . 5.0 m-20 -130.08 139.42 50.95 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.819 0.342 . . . . 0.65 111.34 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.481 HG12 ' SD ' ' A' ' 83' ' ' MET . 43.4 mt -111.77 136.64 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.055 -0.52 . . . . 0.22 110.547 174.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -80.66 -43.99 19.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.281 0.563 . . . . 1.59 109.63 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -160.39 140.14 11.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 114.924 -1.034 . . . . 2.3 109.89 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.414 ' HB2' HG21 ' A' ' 61' ' ' ILE . . . -136.39 118.13 15.06 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.182 -0.303 . . . . 0.17 110.182 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.8 m -136.59 146.14 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.119 0.485 . . . . 0.32 111.904 -175.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.4 t -94.25 134.09 32.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 107.352 -1.351 . . . . 0.23 107.352 168.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.829 HG12 ' HA2' ' A' ' 79' ' ' GLY . 26.8 mm -85.29 126.26 40.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.57 0.7 . . . . 0.17 110.926 -168.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.518 HG22 ' HA ' ' A' ' 75' ' ' SER . 41.2 p -120.91 150.11 41.58 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 114.788 -1.096 . . . . 0.34 108.431 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -55.89 129.4 39.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.886 0.374 . . . . 0.64 111.403 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -58.93 -21.8 58.71 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.832 0.679 . . . . 5.24 112.832 -175.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -95.19 -54.93 3.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.796 0.332 . . . . 1.65 111.685 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.4 p -92.84 -18.6 22.65 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.175 0.435 . . . . 0.71 112.175 -173.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.407 ' C ' ' HB ' ' A' ' 68' ' ' THR . 25.1 mt-30 68.03 26.38 7.32 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.224 -0.898 . . . . 1.42 110.892 178.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -86.09 134.12 33.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.332 -0.849 . . . . 2.2 109.621 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.518 ' HA ' HG22 ' A' ' 68' ' ' THR . 6.6 m -58.85 127.92 34.62 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.143 0.277 . . . . 1.15 110.932 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -92.35 13.25 19.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.328 0.585 . . . . 2.16 111.28 -176.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.87 11.75 81.05 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.662 -0.78 . . . . 0.26 114.714 177.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -146.9 168.08 22.35 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 117.334 0.567 . . . . 0.46 109.631 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.829 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -156.83 -179.07 31.51 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.239 -0.982 . . . . 0.14 112.746 -176.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.444 ' HD1' HD11 ' A' ' 67' ' ' ILE . 60.3 m-85 -132.49 138.16 47.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.745 0.784 . . . . 0.31 111.703 -179.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.3 t -121.28 124.38 71.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 114.657 -1.156 . . . . 0.29 109.423 172.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.4 m -106.8 109.71 21.68 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 107.672 -1.233 . . . . 0.26 107.672 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.501 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.8 mmm -83.43 146.5 28.39 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.456 -0.572 . . . . 0.43 109.456 -176.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.59 ' HE3' ' HB3' ' A' ' 60' ' ' ASP . 36.8 ttmt -70.55 -18.38 62.92 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.23 -0.895 . . . . 1.46 109.867 -177.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.86 146.57 37.7 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.398 0.618 . . . . 1.02 111.182 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -64.03 -43.21 96.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.1 -0.954 . . . . 2.95 113.065 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -63.28 -40.24 96.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.993 0.425 . . . . 0.27 110.626 -177.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.3 m -62.47 -43.2 99.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.672 -0.695 . . . . 0.55 110.186 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.553 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -63.65 -39.22 93.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.353 -0.84 . . . . 0.17 111.266 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -67.98 -39.49 83.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.042 -0.526 . . . . 2.08 110.74 -177.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 18.8 mmt180 -60.53 -39.19 86.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.949 0.404 . . . . 3.23 110.299 179.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.24 99.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.2 111.406 175.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 57.6 m -81.23 -14.84 57.07 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.179 0.437 . . . . 0.32 112.179 -175.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -65.87 -35.28 80.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.7 0.286 . . . . 2.9 110.557 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -107.92 96.45 17.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.601 -0.888 . . . . 1.12 108.601 172.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.477 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.4 Cg_endo -69.92 -4.08 13.42 Favored 'Trans proline' 0 N--CA 1.467 -0.071 0 C-N-CA 123.086 2.524 . . . . 0.48 114.823 -168.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 13.4 m120 -126.64 62.53 49.8 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.671 0.619 . . . . 0.67 112.671 -175.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -75.46 142.35 26.41 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.103 1.869 . . . . 0.48 112.016 175.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 49.8 mm -84.76 111.05 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.445 -0.343 . . . . 0.43 110.109 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.6 mt -122.79 121.57 63.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.058 -0.519 . . . . 0.44 110.1 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.9 t70 60.62 32.67 20.39 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.835 0.826 . . . . 1.33 109.825 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.08 4.21 88.69 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 115.414 -0.812 . . . . 0.51 112.913 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.477 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 20.3 tpt180 -116.51 138.69 51.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.604 0.24 . . . . 1.97 110.954 -178.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -83.24 120.09 25.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.166 0.508 . . . . 1.87 110.074 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.46 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.18 161.2 14.98 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.174 -0.921 . . . . 0.21 111.456 -175.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 59.4 m-20 -107.17 115.46 30.21 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.269 -1.011 . . . . 1.53 108.269 175.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.8 t -113.7 126.18 71.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.003 0.43 . . . . 0.38 112.009 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -154.57 155.23 34.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.529 -0.759 . . . . 0.61 109.818 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.8 mt -55.31 130.47 42.51 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 110.06 -0.348 . . . . 0.23 110.06 174.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.07 -33.7 73.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.677 0.621 . . . . 0.22 112.677 -169.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -70.38 -16.4 62.96 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.849 -0.34 . . . . 0.44 110.976 -175.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.89 -17.25 63.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.182 -0.463 . . . . 0.44 111.94 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -139.86 14.79 3.1 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 111.104 -0.798 . . . . 0.38 111.104 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 115.363 -0.419 . . . . 0.58 110.521 -176.842 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.602 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 37.1 p . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 112.477 0.547 . . . . 0.76 112.477 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 27.4 ttt -52.98 -52.86 56.84 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.79 0.663 . . . . 0.91 112.79 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.515 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 99.0 m-85 -102.74 -0.18 31.98 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.7 -0.4 . . . . 0.86 111.412 -176.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.487 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 40.8 p -109.85 -21.67 12.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.104 0.409 . . . . 0.25 112.104 -174.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.602 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 86.4 tttt -85.27 113.69 21.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.162 0.506 . . . . 1.28 110.523 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.487 HD11 ' HA ' ' A' ' 89' ' ' ALA . 67.4 mt -103.36 134.75 43.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.473 -0.785 . . . . 0.21 110.654 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -99.41 126.29 45.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.57 -0.53 . . . . 0.3 109.57 174.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.501 HG13 HG22 ' A' ' 107' ' ' VAL . 5.0 t -109.41 130.32 62.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.253 -0.431 . . . . 0.25 109.985 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.41 159.35 21.39 Favored Glycine 0 C--O 1.226 -0.406 0 CA-C-N 116.047 -0.524 . . . . 0.24 112.131 -174.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.2 11.39 84.95 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.964 -0.636 . . . . 0.24 112.761 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.1 mt -68.29 135.56 91.19 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 120.69 0.281 . . . . 0.2 111.158 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.54 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 20.5 Cg_endo -63.1 148.19 93.53 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 121.768 1.646 . . . . 0.28 110.312 174.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -65.66 -26.23 67.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.785 0.326 . . . . 0.54 111.184 -171.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.54 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 9.6 p80 -78.69 -12.48 60.02 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.867 0.692 . . . . 2.37 112.867 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.496 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 95.0 m -56.33 139.23 49.09 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.074 0.397 . . . . 0.35 111.864 175.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.2 p -111.75 163.0 14.64 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 116.332 -0.394 . . . . 0.26 111.132 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.51 -36.22 61.5 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.556 -0.747 . . . . 0.55 110.712 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -67.34 -35.74 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.871 -0.604 . . . . 2.24 110.876 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.548 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 8.3 m -65.81 -39.09 90.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 0.39 110.989 178.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.8 mt -70.57 -41.32 72.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.411 0.624 . . . . 0.26 109.401 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -54.9 -55.42 30.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.379 -1.282 . . . . 0.7 110.119 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 50' ' ' THR . 8.9 pt-20 -59.57 -42.53 92.7 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.683 0.623 . . . . 2.68 112.683 -175.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.462 ' OH ' ' HB3' ' A' ' 98' ' ' PRO . 64.1 t80 -70.19 -53.17 18.28 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.68 -0.408 . . . . 0.85 111.562 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.454 ' HB2' HD11 ' A' ' 61' ' ' ILE . 75.6 m-85 -72.38 -28.08 62.78 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.48 0.919 . . . . 0.24 113.48 -175.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 12.3 pt-20 -67.33 -17.92 64.95 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.461 -0.496 . . . . 1.93 110.824 -175.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -67.02 -9.33 37.89 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.345 -0.389 . . . . 2.06 111.741 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -91.69 -11.6 36.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.809 0.337 . . . . 0.3 110.982 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 157.62 -105.53 0.27 Allowed Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.481 -0.866 . . . . 1.36 112.838 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -126.49 132.16 51.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.618 0.246 . . . . 0.65 111.204 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.454 HD11 ' HB2' ' A' ' 55' ' ' PHE . 34.7 mt -103.18 139.5 23.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.993 0.425 . . . . 0.22 110.936 172.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -81.63 -47.37 13.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.497 -0.774 . . . . 1.59 109.989 172.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -157.15 140.73 15.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.487 -0.779 . . . . 2.3 110.401 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.98 116.21 13.49 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.848 -0.427 . . . . 0.17 109.848 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.83 149.69 26.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.945 0.403 . . . . 0.32 111.897 -174.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -98.79 134.31 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.881 -1.155 . . . . 0.23 107.881 169.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.963 HG12 ' HA2' ' A' ' 79' ' ' GLY . 22.4 mm -84.34 126.52 40.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.548 0.689 . . . . 0.17 111.385 -167.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.533 HG22 ' HA ' ' A' ' 75' ' ' SER . 39.0 p -125.18 146.29 49.57 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.37 -1.286 . . . . 0.34 108.188 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 73' ' ' GLN . 15.6 t70 -57.59 136.43 56.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.668 0.271 . . . . 0.64 111.092 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -57.69 -30.61 65.61 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.819 0.674 . . . . 5.24 112.819 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -94.49 -54.53 3.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.215 0.45 . . . . 1.65 112.215 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 p -91.39 -19.03 23.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.097 0.475 . . . . 0.71 111.707 -175.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 48.8 mt-30 68.03 26.79 7.22 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.077 -0.965 . . . . 1.42 111.177 173.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -87.15 131.65 34.1 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.459 -0.571 . . . . 2.2 109.459 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.533 ' HA ' HG22 ' A' ' 68' ' ' THR . 13.7 m -58.8 128.83 39.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.895 0.378 . . . . 1.15 110.786 176.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -98.25 13.44 31.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.035 -0.53 . . . . 2.16 111.414 -173.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.08 16.87 79.45 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.73 -0.748 . . . . 0.26 114.312 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.443 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 37.5 p90 -153.3 167.65 28.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.635 0.718 . . . . 0.46 110.39 175.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.963 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -158.24 -173.95 27.32 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.512 -0.851 . . . . 0.14 112.864 -175.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.492 ' HD1' HD11 ' A' ' 67' ' ' ILE . 49.8 m-85 -133.97 145.45 49.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.662 0.744 . . . . 0.31 112.172 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.1 t -130.99 127.51 61.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 114.459 -1.246 . . . . 0.29 109.756 171.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.5 m -104.9 110.44 22.82 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.211 -1.033 . . . . 0.26 108.211 175.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.567 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.6 mmm -84.49 149.48 25.91 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.247 0.546 . . . . 0.43 110.658 -178.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -75.26 -18.04 60.17 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.194 -0.912 . . . . 1.46 111.181 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -144.51 149.39 35.84 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.271 -0.422 . . . . 1.02 110.483 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.515 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 47.1 ttt180 -63.11 -42.27 99.53 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.031 -0.532 . . . . 2.95 111.633 -177.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.635 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -61.61 -44.38 97.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.307 . . . . 0.27 110.713 -173.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.5 m -63.5 -42.39 98.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.174 -0.466 . . . . 0.55 110.152 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.567 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.76 -44.84 95.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.416 0.627 . . . . 0.17 111.156 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -70.4 -35.15 73.28 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.538 -0.756 . . . . 2.08 111.392 -175.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.635 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 17.5 mmt180 -60.76 -39.88 90.42 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.415 -0.587 . . . . 3.23 109.415 175.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.73 78.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.538 -0.755 . . . . 0.2 111.028 175.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.0 m -81.34 -10.83 59.48 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 111.588 0.218 . . . . 0.32 111.588 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.484 ' O ' ' HD2' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -65.61 -39.66 91.77 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.33 -0.619 . . . . 2.9 109.33 177.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -101.1 93.81 3.38 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.081 -0.711 . . . . 1.12 109.081 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.511 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 60.4 Cg_endo -69.99 -12.15 31.89 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.762 2.308 . . . . 0.48 113.759 -170.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.673 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 11.2 m120 -130.01 68.25 80.64 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 112.285 0.476 . . . . 0.67 112.285 -176.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.462 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 9.7 Cg_exo -73.73 139.39 27.81 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.967 2.445 . . . . 0.48 112.035 174.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.4 mm -84.71 111.18 20.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.008 0.432 . . . . 0.43 110.272 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.5 mt -121.96 121.66 64.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.788 -0.642 . . . . 0.44 110.045 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.435 ' OD2' HG21 ' A' ' 50' ' ' THR . 32.1 m-20 59.45 33.15 22.19 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.531 -0.759 . . . . 1.33 110.481 -177.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.3 15.2 78.92 Favored Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.704 -0.68 . . . . 0.51 113.441 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.435 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 24.4 tpt180 -120.03 143.82 47.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.385 -0.48 . . . . 1.97 110.486 178.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -78.22 120.44 23.01 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.292 -0.413 . . . . 1.87 110.081 176.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.673 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.49 158.41 16.93 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.863 0.364 . . . . 0.21 110.763 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.511 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 5.6 m-20 -112.65 115.73 29.04 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.131 -0.692 . . . . 1.53 109.131 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.501 HG22 HG13 ' A' ' 39' ' ' VAL . 59.5 t -115.37 132.65 64.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 112.291 0.478 . . . . 0.38 112.291 -176.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -151.79 152.84 33.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.382 -0.827 . . . . 0.61 109.846 173.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.402 HD23 HG12 ' A' ' 37' ' ' ILE . 86.0 mt -55.57 131.03 45.25 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.089 -0.708 . . . . 0.23 109.089 172.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.36 -36.22 70.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.046 0.758 . . . . 0.22 113.046 -168.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -71.89 -13.15 61.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.901 0.382 . . . . 0.44 111.504 -175.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.6 -12.54 60.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.558 -0.292 . . . . 0.44 111.198 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.69 13.8 1.55 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 0.38 112.026 -178.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.982 0.42 . . . . 0.58 110.227 -179.088 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.604 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 0.8 OUTLIER . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 112.512 0.56 . . . . 0.76 112.512 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 61.7 mtp -54.07 -53.26 55.62 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.982 0.734 . . . . 0.91 112.982 -177.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.606 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 77.5 m-85 -105.91 -0.96 24.67 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.555 -0.458 . . . . 0.86 111.398 -176.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.604 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 41.5 p -101.52 -22.53 14.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.742 0.275 . . . . 0.25 111.742 -176.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HE3' ' CE2' ' A' ' 80' ' ' PHE . 35.6 tttp -86.65 112.56 21.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.012 0.434 . . . . 1.28 109.9 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.637 HD11 ' HA ' ' A' ' 89' ' ' ALA . 62.7 mt -100.01 130.89 48.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 116.054 -0.521 . . . . 0.21 110.471 178.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -104.82 128.94 53.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.564 -0.532 . . . . 0.3 109.564 174.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.626 HG13 HG22 ' A' ' 107' ' ' VAL . 3.6 t -113.01 132.5 61.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.848 -0.426 . . . . 0.25 109.848 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.85 151.43 18.21 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.982 -0.554 . . . . 0.24 111.798 -175.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.79 14.31 79.89 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.639 -0.791 . . . . 0.24 112.545 177.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.7 mt -66.54 130.0 94.12 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 120.626 0.25 . . . . 0.2 110.893 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 18.8 Cg_endo -58.58 148.13 83.28 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.121 1.88 . . . . 0.28 110.378 173.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -64.56 -13.69 54.12 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.941 -0.303 . . . . 0.54 111.628 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.545 ' HB2' ' OD1' ' A' ' 101' ' ' ASP . 18.7 m-70 -75.95 -22.33 56.07 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 121.026 -0.27 . . . . 2.37 111.382 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 m -55.06 127.87 31.07 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.97 0.414 . . . . 0.35 111.776 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.1 p -111.35 161.14 16.38 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.712 -0.676 . . . . 0.26 109.46 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.409 ' OD1' ' HA ' ' A' ' 65' ' ' VAL . 2.4 m-20 -53.99 -34.34 59.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.039 -0.528 . . . . 0.55 110.779 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -60.19 -46.8 88.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.336 -0.847 . . . . 2.24 111.135 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.7 m -64.78 -38.15 90.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.411 -0.359 . . . . 0.39 111.334 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.2 mt -69.12 -45.46 70.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.365 -0.606 . . . . 0.26 109.365 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 22.3 t-80 -55.61 -55.03 36.86 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.146 -0.934 . . . . 0.7 110.622 176.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.668 ' HG3' ' N ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -62.02 -37.95 86.81 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.206 0.447 . . . . 2.68 112.206 -175.822 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.668 ' N ' ' HG3' ' A' ' 53' ' ' GLU . 15.4 t80 -70.53 -53.65 15.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 0.85 111.404 -174.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.526 ' HB2' HD11 ' A' ' 61' ' ' ILE . 84.5 m-85 -72.92 -27.67 62.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.643 0.609 . . . . 0.24 112.643 -178.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.484 ' HG2' HD12 ' A' ' 61' ' ' ILE . 1.5 mm-40 -62.79 -17.74 61.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.937 0.399 . . . . 1.93 110.926 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -67.84 -17.41 64.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.379 -0.373 . . . . 2.06 111.07 174.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -92.38 -24.37 18.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 0.3 110.601 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.25 -172.65 38.41 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.947 -0.644 . . . . 1.36 112.189 -177.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.93 130.08 41.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.043 0.449 . . . . 0.65 111.401 -176.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.549 HG12 ' SD ' ' A' ' 83' ' ' MET . 18.5 mt -99.3 139.58 20.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.692 -0.685 . . . . 0.22 112.195 176.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 82' ' ' THR . 40.8 mm-40 -77.69 -51.25 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.774 -1.103 . . . . 1.59 109.717 173.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -159.68 139.86 11.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.595 -1.184 . . . . 2.3 109.529 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.39 115.58 12.5 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.768 -0.456 . . . . 0.17 109.768 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.409 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 30.6 m -137.56 150.11 25.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.136 0.493 . . . . 0.32 111.784 -176.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.0 t -94.95 134.42 32.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.113 -1.069 . . . . 0.23 108.113 169.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.791 HG12 ' HA2' ' A' ' 79' ' ' GLY . 28.6 mm -85.58 125.24 40.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.5 0.667 . . . . 0.17 110.856 -170.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.714 HG22 ' HA ' ' A' ' 75' ' ' SER . 76.7 p -123.7 149.54 45.38 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.66 -1.155 . . . . 0.34 108.566 177.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -57.58 127.04 30.04 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.529 -0.545 . . . . 0.64 109.529 172.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.574 ' HD3' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -59.63 -20.77 58.24 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.047 0.758 . . . . 5.24 113.047 -174.445 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.49 ' OD1' ' HG2' ' A' ' 70' ' ' ARG . 4.5 m-20 -90.57 -53.09 4.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.789 0.292 . . . . 1.65 111.789 -175.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.9 p -91.37 -20.36 21.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.101 0.477 . . . . 0.71 111.195 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 64.02 32.86 12.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.944 -1.025 . . . . 1.42 110.964 174.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -97.94 138.36 35.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.073 -0.967 . . . . 2.2 109.437 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.714 ' HA ' HG22 ' A' ' 68' ' ' THR . 9.0 m -59.39 131.24 50.37 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.155 0.284 . . . . 1.15 110.779 -177.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.425 ' HB2' ' CE2' ' A' ' 78' ' ' TYR . 27.8 mtp180 -96.56 15.11 22.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.308 0.575 . . . . 2.16 110.739 -175.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.29 13.88 81.12 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-N 115.435 -0.802 . . . . 0.26 114.688 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' A' ' 76' ' ' ARG . 54.3 p90 -150.57 167.89 25.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.654 0.727 . . . . 0.46 109.997 177.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.791 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -159.12 -177.55 32.3 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 119.995 -1.098 . . . . 0.14 112.989 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.401 ' CE2' ' HE3' ' A' ' 36' ' ' LYS . 55.5 m-85 -133.24 139.31 46.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.727 0.775 . . . . 0.31 112.126 -177.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 t -125.92 127.2 70.98 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 114.396 -1.275 . . . . 0.29 108.765 168.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 19.5 m -106.05 113.25 26.67 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 107.861 -1.162 . . . . 0.26 107.861 174.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.583 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.6 mmm -85.41 145.89 27.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.201 0.524 . . . . 0.43 110.368 -178.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -69.43 -18.78 63.77 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.22 -0.9 . . . . 1.46 111.236 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -144.74 150.7 37.71 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.951 0.405 . . . . 1.02 111.342 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.606 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 24.9 ttm180 -59.86 -43.22 94.78 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.359 -0.837 . . . . 2.95 112.459 -176.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -64.71 -43.8 92.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.465 -0.334 . . . . 0.27 110.886 -173.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.4 m -62.43 -43.39 98.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.335 0.588 . . . . 0.55 109.811 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.637 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -63.94 -44.82 91.69 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.244 -0.889 . . . . 0.17 111.221 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -69.59 -37.06 76.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.222 -0.444 . . . . 2.08 111.525 -176.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 4.9 mtp180 -60.57 -40.45 91.72 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 120.573 -0.451 . . . . 3.23 109.901 177.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.42 -35.74 80.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.579 -0.737 . . . . 0.2 111.406 175.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.1 m -81.89 -9.34 59.62 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 112.348 0.499 . . . . 0.32 112.348 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -63.93 -38.3 90.58 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 121.297 -0.161 . . . . 2.9 111.395 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -111.34 102.67 53.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.269 -0.641 . . . . 1.12 109.269 176.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.556 ' C ' ' HD3' ' A' ' 98' ' ' PRO . 59.9 Cg_endo -71.06 -2.75 11.58 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.985 2.457 . . . . 0.48 114.588 -174.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.548 HD22 ' C ' ' A' ' 96' ' ' PRO . 1.0 OUTLIER -121.98 55.49 6.13 Favored Pre-proline 0 N--CA 1.472 0.658 0 N-CA-C 112.933 0.716 . . . . 0.67 112.933 -176.181 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.556 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 4.8 Cg_exo -73.9 138.06 25.36 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.288 1.992 . . . . 0.48 111.907 177.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 49.1 mm -83.75 116.62 28.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.171 -0.468 . . . . 0.43 110.562 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.3 mt -126.03 124.46 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 0.44 110.48 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.545 ' OD1' ' HB2' ' A' ' 45' ' ' HIS . 33.9 t70 59.19 34.51 23.2 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.859 0.838 . . . . 1.33 110.079 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.71 12.43 82.76 Favored Glycine 0 CA--C 1.522 0.524 0 CA-C-N 115.44 -0.8 . . . . 0.51 113.798 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.419 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 70.8 ttt180 -130.4 140.65 50.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.298 0.549 . . . . 1.97 110.386 -179.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -73.64 123.52 24.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.389 -0.369 . . . . 1.87 110.699 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.33 159.47 16.35 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.596 -0.729 . . . . 0.21 110.475 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.536 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 91.7 m-20 -111.13 115.51 29.53 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.167 -0.679 . . . . 1.53 109.167 178.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.626 HG22 HG13 ' A' ' 39' ' ' VAL . 97.7 t -119.11 133.43 65.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.397 0.518 . . . . 0.38 112.397 -175.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.466 HD22 ' C ' ' A' ' 108' ' ' ASN . 0.3 OUTLIER -159.37 160.0 34.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.345 -0.843 . . . . 0.61 109.319 174.244 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.4 mt -55.67 127.88 32.06 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.926 -0.398 . . . . 0.23 109.926 174.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.97 70.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.862 0.69 . . . . 0.22 112.862 -169.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -70.82 -15.92 62.69 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 121.074 -0.251 . . . . 0.44 111.329 -176.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.5 mt -76.76 -8.51 57.44 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.482 0.549 . . . . 0.44 112.482 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.98 13.64 1.7 Allowed Glycine 0 C--N 1.323 -0.14 0 C-N-CA 120.728 -0.749 . . . . 0.38 112.037 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-O 120.839 0.352 . . . . 0.58 111.14 -178.092 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.411 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 7.4 p . . . . . 0 C--O 1.227 -0.081 0 N-CA-C 112.373 0.508 . . . . 0.76 112.373 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 69.7 mtp -54.92 -52.3 63.38 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.36 0.874 . . . . 0.91 113.36 -174.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.587 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 81.1 m-85 -105.75 0.48 26.21 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.162 -0.615 . . . . 0.86 111.168 -176.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 26.0 p -106.33 -30.21 9.29 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.544 -0.298 . . . . 0.25 111.713 -175.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -82.92 111.7 19.04 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 121.177 0.513 . . . . 1.28 109.743 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.409 HG12 HD23 ' A' ' 109' ' ' LEU . 63.8 mt -101.76 132.77 47.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.451 -0.795 . . . . 0.21 110.431 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -97.42 123.43 41.26 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.424 -0.584 . . . . 0.3 109.424 175.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.523 HG13 HG22 ' A' ' 107' ' ' VAL . 3.7 t -104.33 124.67 58.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.355 -0.609 . . . . 0.25 109.355 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.24 156.98 19.3 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.098 -0.572 . . . . 0.24 112.256 -173.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.15 9.85 86.65 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.916 -0.659 . . . . 0.24 112.534 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.19 135.02 93.55 Favored Pre-proline 0 C--N 1.327 -0.389 0 C-N-CA 122.301 0.24 . . . . 0.2 110.66 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 45.7 Cg_endo -68.9 152.35 73.6 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.028 1.818 . . . . 0.28 110.292 174.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -63.59 -14.76 54.64 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.988 0.366 . . . . 0.54 111.988 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.409 ' HB2' ' OD1' ' A' ' 101' ' ' ASP . 16.2 m-70 -76.27 -22.78 54.69 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.888 0.329 . . . . 2.37 111.888 178.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.7 m -58.21 134.81 56.84 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.296 0.48 . . . . 0.35 112.296 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.9 p -117.14 167.52 11.11 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.161 -0.472 . . . . 0.26 110.367 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -53.12 -39.62 63.6 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.895 -0.593 . . . . 0.55 111.419 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.584 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 37.9 ttpt -69.11 -33.77 74.0 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.35 -0.387 . . . . 2.24 110.119 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.0 m -62.04 -40.39 95.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.995 0.426 . . . . 0.39 110.191 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.5 mt -71.91 -40.99 68.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.26 110.29 176.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -55.34 -56.0 25.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.605 -0.725 . . . . 0.7 111.067 177.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 9.5 mm-40 -59.67 -43.65 93.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.632 0.604 . . . . 2.68 112.632 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.456 ' OH ' ' HB3' ' A' ' 98' ' ' PRO . 73.3 t80 -70.17 -52.59 22.24 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.914 -0.714 . . . . 0.85 111.911 -175.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.469 ' CB ' HD11 ' A' ' 61' ' ' ILE . 79.0 m-85 -71.81 -27.64 63.06 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.143 0.794 . . . . 0.24 113.143 -176.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -17.68 64.99 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.387 -0.525 . . . . 1.93 110.843 -175.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -67.58 -11.58 58.42 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.961 -0.563 . . . . 2.06 111.158 177.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 43.5 m-85 -92.38 -30.22 15.9 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 122.303 -0.248 . . . . 0.3 111.135 178.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.16 -168.64 36.51 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.41 -0.9 . . . . 1.36 112.568 -174.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -63.03 117.6 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.469 0.652 . . . . 0.65 112.334 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.514 HG12 ' SD ' ' A' ' 83' ' ' MET . 31.9 mt -96.66 133.44 38.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.435 -0.802 . . . . 0.22 111.054 168.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.451 ' OE1' ' HE2' ' A' ' 84' ' ' LYS . 1.9 mm-40 -80.3 -42.32 23.26 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.117 -0.947 . . . . 1.59 109.607 174.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -157.63 135.33 10.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.155 -0.93 . . . . 2.3 109.685 -173.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.91 113.71 10.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 117.832 0.287 . . . . 0.17 110.3 176.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 m -139.24 150.79 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.304 0.483 . . . . 0.32 112.304 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.6 t -96.74 133.92 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 107.788 -1.19 . . . . 0.23 107.788 169.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.83 HG12 ' HA2' ' A' ' 79' ' ' GLY . 26.0 mm -82.92 128.37 38.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-O 121.679 0.752 . . . . 0.17 110.942 -169.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.75 HG22 ' HA ' ' A' ' 75' ' ' SER . 32.5 p -129.48 147.04 51.25 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.425 -1.261 . . . . 0.34 107.835 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.97 132.03 48.21 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.854 -0.738 . . . . 0.64 109.744 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.594 ' H ' ' HD2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -61.66 -15.99 44.72 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.429 0.9 . . . . 5.24 113.429 -172.332 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -86.06 -58.39 2.66 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.68 -0.408 . . . . 1.65 110.898 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.1 p -96.59 -20.68 18.16 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.28 0.474 . . . . 0.71 112.28 -174.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 68.34 23.49 7.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.468 -0.787 . . . . 1.42 110.891 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -77.82 150.91 34.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.043 -0.526 . . . . 2.2 109.787 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.75 ' HA ' HG22 ' A' ' 68' ' ' THR . 15.5 m -75.56 123.49 25.57 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.01 -0.367 . . . . 1.15 110.01 -171.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.565 ' HD2' HG22 ' A' ' 67' ' ' ILE . 54.1 mtt180 -82.02 5.74 18.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.046 0.451 . . . . 2.16 111.523 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.58 10.89 80.13 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.827 -0.701 . . . . 0.26 114.124 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.491 ' CE2' ' HB3' ' A' ' 76' ' ' ARG . 40.7 p90 -149.6 165.04 33.47 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.268 -0.641 . . . . 0.46 109.268 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.83 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -154.38 -175.81 25.99 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 119.91 -1.138 . . . . 0.14 112.766 -176.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -132.74 138.26 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.6 0.714 . . . . 0.31 111.373 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.3 t -122.98 123.27 67.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 114.664 -1.153 . . . . 0.29 109.346 170.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -101.81 108.92 20.56 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.35 -0.981 . . . . 0.26 108.35 177.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.542 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.8 mmm -84.2 148.33 26.8 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.37 0.605 . . . . 0.43 110.579 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.451 ' HE2' ' OE1' ' A' ' 62' ' ' GLU . 19.7 ttmt -75.85 -17.94 59.62 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.768 -1.105 . . . . 1.46 110.625 -177.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -147.36 151.01 35.82 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.351 0.596 . . . . 1.02 110.984 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.587 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 4.7 ttm180 -60.7 -41.79 95.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.303 -0.862 . . . . 2.95 111.947 -176.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.705 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -66.04 -45.74 80.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.365 -0.38 . . . . 0.27 111.171 -170.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.8 m -63.7 -39.11 93.49 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.61 -0.515 . . . . 0.55 109.61 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.542 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.83 -44.72 95.38 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.953 -0.567 . . . . 0.17 111.002 177.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -71.37 -34.69 70.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.738 -0.664 . . . . 2.08 111.919 -175.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.705 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 29.9 mmm180 -60.24 -39.94 88.47 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.118 -0.697 . . . . 3.23 109.118 175.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.522 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -61.38 -37.26 82.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.514 -0.767 . . . . 0.2 111.166 175.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 64.4 m -81.43 -12.57 58.88 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.064 0.394 . . . . 0.32 112.064 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -65.64 -34.62 78.65 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.193 0.52 . . . . 2.9 109.739 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -108.07 88.86 5.02 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 108.619 -0.882 . . . . 1.12 108.619 172.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.537 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 54.5 Cg_endo -69.09 -3.83 12.35 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.0 2.467 . . . . 0.48 113.944 -174.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.657 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 12.3 m120 -129.18 67.09 78.01 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 111.973 0.36 . . . . 0.67 111.973 -178.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.456 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 5.0 Cg_exo -74.69 142.11 28.48 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.789 2.326 . . . . 0.48 111.705 174.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.3 mm -83.32 110.44 18.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.43 -0.582 . . . . 0.43 109.43 172.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.4 mt -125.79 120.59 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.064 -0.517 . . . . 0.44 110.167 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 45' ' ' HIS . 26.4 t70 60.5 34.86 20.34 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.984 0.897 . . . . 1.33 110.246 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.21 3.51 88.47 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.025 -0.989 . . . . 0.51 112.87 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.516 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 15.7 tpt180 -115.37 137.02 52.48 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 122.723 -0.281 . . . . 1.97 110.673 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -74.84 120.16 20.01 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.438 -0.949 . . . . 1.87 108.438 171.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.657 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.41 159.2 16.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.295 -0.411 . . . . 0.21 110.666 -175.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.537 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 3.7 m-20 -115.07 115.3 26.57 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.201 -0.666 . . . . 1.53 109.201 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.523 HG22 HG13 ' A' ' 39' ' ' VAL . 94.5 t -117.76 134.23 62.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.898 0.38 . . . . 0.38 111.936 -175.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -155.9 155.97 33.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.809 -0.632 . . . . 0.61 110.05 175.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 34' ' ' PHE . 88.1 mt -55.81 130.64 44.3 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.712 -0.477 . . . . 0.23 109.712 174.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.11 -33.04 73.7 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.229 0.826 . . . . 0.22 113.229 -167.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -68.08 -16.51 64.05 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.786 -0.366 . . . . 0.44 111.298 -175.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.1 mt -71.16 -8.15 51.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.332 0.493 . . . . 0.44 112.332 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.74 12.62 0.99 Allowed Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.766 -0.73 . . . . 0.38 111.328 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.127 0.489 . . . . 0.58 112.004 -174.132 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.999 0 N-CA-C 112.231 -0.348 . . . . 7.06 112.231 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 73.17 12.74 4.88 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.557 0.743 . . . . 4.34 111.761 178.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 25.5 mmt -122.28 -80.46 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.094 0.473 . . . . 6.94 110.045 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -108.51 20.72 29.56 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.598 -0.811 . . . . 3.16 112.021 178.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 p -85.71 81.94 8.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.897 0.379 . . . . 4.65 111.088 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.651 ' HA ' ' HB2' ' A' ' 33' ' ' MET . 5.7 ppt_? -100.43 -7.59 24.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.696 0.76 . . . . 5.5 109.334 175.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -64.73 -27.6 69.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.367 -1.288 . . . . 2.39 110.539 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.652 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 2.2 p -125.68 -0.11 7.44 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.518 -0.764 . . . . 0.76 111.711 -175.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.651 ' HB2' ' HA ' ' A' ' 30' ' ' ARG . 23.7 ttt -51.16 -54.33 26.35 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.137 0.792 . . . . 0.91 113.137 -171.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.534 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 62.5 m-85 -106.72 2.2 25.58 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 121.914 -0.491 . . . . 0.86 111.941 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 15.3 p -106.61 -22.07 12.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.807 0.669 . . . . 0.25 112.807 -175.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.652 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 40.0 tttp -85.75 113.17 21.72 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.758 0.313 . . . . 1.28 110.381 -177.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.55 HD11 ' HA ' ' A' ' 89' ' ' ALA . 65.5 mt -103.13 134.29 44.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.186 -0.461 . . . . 0.21 111.163 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -100.78 128.66 46.74 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.589 -0.522 . . . . 0.3 109.589 173.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.416 HG13 HG22 ' A' ' 107' ' ' VAL . 7.5 t -110.66 130.42 64.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.866 -0.42 . . . . 0.25 109.866 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.02 160.78 21.31 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.939 -0.573 . . . . 0.24 112.051 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.39 28.21 64.21 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.814 -0.708 . . . . 0.24 112.776 177.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.2 mt -85.67 130.33 51.37 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.762 0.315 . . . . 0.2 110.955 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 16.3 Cg_endo -60.41 142.9 99.21 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.877 1.718 . . . . 0.28 110.165 172.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -62.13 -20.67 64.32 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.716 0.265 . . . . 0.54 111.716 -172.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.46 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 19.1 p80 -81.0 -13.29 59.0 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.122 0.786 . . . . 2.37 113.122 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.447 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 48.2 m -56.07 139.76 45.88 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.526 0.603 . . . . 0.35 111.189 175.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.7 p -111.9 163.17 14.52 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.086 0.469 . . . . 0.26 110.705 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.65 -36.74 62.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.556 -0.747 . . . . 0.55 110.696 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.664 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 26.6 ttpp -68.68 -35.36 77.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 2.24 110.281 -178.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.4 m -62.32 -39.86 94.42 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.704 0.287 . . . . 0.39 110.544 177.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.4 mt -70.42 -42.49 71.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.647 -0.501 . . . . 0.26 109.647 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -55.93 -55.52 31.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.255 -0.884 . . . . 0.7 111.548 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 25.0 mm-40 -60.02 -45.37 93.02 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.443 0.534 . . . . 2.68 112.443 -176.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -70.16 -51.61 29.88 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.891 -0.324 . . . . 0.85 111.375 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -71.18 -27.93 63.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.483 0.92 . . . . 0.24 113.483 -176.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -68.77 -13.92 62.7 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.766 -0.774 . . . . 1.93 110.727 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -67.03 -11.06 55.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 2.06 111.84 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -92.16 -15.58 27.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.6 0.238 . . . . 0.3 110.943 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.42 -110.82 0.43 Allowed Glycine 0 C--N 1.329 0.166 0 C-N-CA 120.601 -0.809 . . . . 1.36 112.515 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -130.83 139.95 50.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.923 0.392 . . . . 0.65 110.924 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.465 HG12 ' SD ' ' A' ' 83' ' ' MET . 39.9 mt -110.35 140.94 27.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.114 0.483 . . . . 0.22 111.73 177.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -79.24 -51.63 9.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.234 -0.893 . . . . 1.59 109.579 172.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -155.3 136.21 13.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.738 -1.119 . . . . 2.3 109.888 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.13 114.51 11.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.773 -0.455 . . . . 0.17 109.773 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.4 m -138.55 151.62 24.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.935 -0.575 . . . . 0.32 111.992 -174.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 50.0 t -96.06 134.3 34.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.543 -1.28 . . . . 0.23 107.543 170.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.803 HG12 ' HA2' ' A' ' 79' ' ' GLY . 43.7 mm -85.12 128.66 38.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.494 0.664 . . . . 0.17 111.274 -168.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.641 HG22 ' HA ' ' A' ' 75' ' ' SER . 73.9 p -121.93 149.3 43.62 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 115.013 -0.994 . . . . 0.34 108.709 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.67 126.61 28.11 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.738 -0.467 . . . . 0.64 109.738 173.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.53 ' C ' ' HD3' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -62.75 -16.57 58.3 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.77 0.655 . . . . 5.24 112.77 -172.618 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -87.59 -54.23 4.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.985 0.422 . . . . 1.65 110.833 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.1 p -92.51 -15.39 27.1 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.243 0.46 . . . . 0.71 112.243 -175.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 62.99 30.95 16.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.418 -0.81 . . . . 1.42 110.529 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -103.99 140.5 37.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.616 -0.72 . . . . 2.2 109.84 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.641 ' HA ' HG22 ' A' ' 68' ' ' THR . 14.6 m -59.02 131.5 51.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 1.15 111.925 -173.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -93.45 10.53 31.96 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.0 -0.545 . . . . 2.16 110.671 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.709 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 73.43 16.26 78.91 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.526 -0.761 . . . . 0.26 114.869 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -149.11 165.21 32.44 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.909 -0.775 . . . . 0.46 108.909 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.803 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -152.0 179.51 28.51 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 119.754 -1.212 . . . . 0.14 112.962 -174.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.615 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 53.5 m-85 -134.11 139.77 46.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.847 0.832 . . . . 0.31 111.607 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.6 t -125.55 130.41 72.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 114.361 -1.291 . . . . 0.29 109.24 170.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 m -108.2 110.64 22.32 Favored 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.795 -1.187 . . . . 0.26 107.795 174.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.503 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 91.3 mmm -83.92 149.28 26.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.089 0.471 . . . . 0.43 110.443 -175.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -76.56 -19.75 57.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.217 -0.902 . . . . 1.46 110.137 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.52 146.62 38.37 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.535 -0.757 . . . . 1.02 110.577 -178.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.534 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 59.7 ttt180 -66.49 -43.81 84.37 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.328 0.492 . . . . 2.95 112.328 -177.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.672 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -60.42 -40.18 90.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.003 0.43 . . . . 0.27 110.32 -176.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.5 m -62.29 -44.38 96.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.487 -0.779 . . . . 0.55 109.73 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.55 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -63.42 -44.92 93.22 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.654 -0.703 . . . . 0.17 110.884 178.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -69.88 -37.55 76.1 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.668 -0.696 . . . . 2.08 111.659 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 28.5 mmm180 -61.01 -39.23 88.94 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.478 -0.564 . . . . 3.23 109.478 175.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.74 74.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.857 -0.61 . . . . 0.2 111.26 175.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 60.8 m -80.8 -16.12 54.61 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.654 0.242 . . . . 0.32 111.654 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 0.0 OUTLIER -70.04 -32.34 70.42 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 110.155 -0.313 . . . . 2.9 110.155 -179.24 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -101.33 89.5 1.4 Allowed Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.868 -0.79 . . . . 1.12 108.868 171.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.499 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 56.4 Cg_endo -69.62 -15.4 37.59 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.434 2.089 . . . . 0.48 113.904 -170.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.762 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 14.9 m120 -131.04 63.74 71.37 Favored Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 112.492 0.553 . . . . 0.67 112.492 -173.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -75.28 148.78 34.66 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 122.481 2.121 . . . . 0.48 112.489 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.3 mm -80.21 111.81 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.852 0.358 . . . . 0.43 110.255 175.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.9 mt -120.8 115.15 46.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.26 -0.427 . . . . 0.44 110.279 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.76 44.34 26.34 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.707 -0.679 . . . . 1.33 111.383 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.45 6.02 89.51 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 115.395 -0.82 . . . . 0.51 114.732 174.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.546 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 63.4 ttt180 -134.41 141.76 46.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.751 0.776 . . . . 1.97 110.494 178.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.537 ' HD3' ' HB3' ' A' ' 97' ' ' ASN . 23.8 ttmm -76.4 127.38 32.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.226 -0.443 . . . . 1.87 110.061 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.762 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.59 161.34 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.76 -0.654 . . . . 0.21 110.987 -176.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.499 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 2.0 p-10 -116.73 117.78 30.72 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.183 -0.673 . . . . 1.53 109.183 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.416 HG22 HG13 ' A' ' 39' ' ' VAL . 59.0 t -117.62 137.3 51.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.736 -0.665 . . . . 0.38 112.109 -172.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -156.28 155.94 33.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.969 -0.559 . . . . 0.61 110.053 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.3 mt -55.51 128.25 33.58 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.786 -0.449 . . . . 0.23 109.786 172.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.75 -34.19 77.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.023 0.749 . . . . 0.22 113.023 -168.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -63.51 -20.27 65.47 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.849 0.357 . . . . 0.44 111.237 -174.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.8 mt -70.7 -7.98 48.67 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.606 0.595 . . . . 0.44 112.606 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -148.98 12.94 1.11 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.699 -0.762 . . . . 0.38 111.685 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.38 135.78 36.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.682 0.277 . . . . 0.58 110.834 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.492 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 99.8 mttt -76.34 136.7 68.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.184 -0.462 . . . . 2.02 110.369 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 115' ' ' LYS . 12.0 Cg_exo -70.71 176.96 6.77 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 123.094 2.529 . . . . 2.19 112.141 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 74.18 -24.56 0.21 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.429 0.692 . . . . 6.53 111.513 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.419 ' H ' ' C ' ' A' ' 116' ' ' PRO . 25.6 p -61.36 152.48 29.39 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.915 0.388 . . . . 4.39 111.96 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -94.34 -174.64 3.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.942 -0.572 . . . . 6.0 110.34 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 39.7 t -119.41 -49.04 3.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 107.539 -1.282 . . . . 5.72 107.539 167.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 . . . . . 0 C--O 1.244 0.803 0 CA-C-N 114.371 -1.286 . . . . 7.98 108.207 168.406 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O5'-C5'-C4' 111.69 1.065 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.709 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.632 0 C3'-C2'-C1' 99.912 -1.991 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.524 ' C6 ' ' OP1' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.433 -0.448 0 P-O5'-C5' 122.904 1.253 . . . . 2.05 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C4'-C3' 103.771 -1.829 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.615 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 O4'-C1'-N19 109.473 2.091 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 P-O3'-C3' 120.813 0.928 . . . . 0.6 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 O4'-C1'-C2' 106.912 0.738 . . . . 5.33 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.552 ' HA2' ' OP1' ' B' ' 6' ' ' ' DG' . . . . . . . . 0 N--CA 1.485 1.916 0 N-CA-C 112.198 -0.361 . . . . 7.06 112.198 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -120.9 100.66 7.21 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.651 -0.5 . . . . 4.34 109.651 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -113.28 -63.35 1.46 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.988 -0.551 . . . . 6.94 110.167 -176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.93 51.59 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.413 -0.899 . . . . 3.16 111.696 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.0 m -98.02 90.56 4.94 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.106 0.479 . . . . 4.65 111.17 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.505 ' HD2' ' C ' ' A' ' 30' ' ' ARG . 2.1 ppt_? -69.6 -15.25 63.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.403 0.621 . . . . 5.5 110.424 176.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -67.72 -28.08 67.35 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.425 -0.807 . . . . 2.39 110.507 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.616 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 4.4 p -96.24 11.31 34.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.111 -0.95 . . . . 0.76 112.815 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 52.7 mtp -53.16 -53.7 46.68 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.858 0.688 . . . . 0.91 112.858 -178.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.541 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 47.8 m-85 -106.29 -5.26 19.27 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 118.229 0.468 . . . . 0.86 111.905 -177.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.501 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 10.9 p -99.87 -23.38 14.97 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.552 -0.295 . . . . 0.25 111.766 -174.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.616 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 86.0 tttt -95.23 113.76 25.48 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.401 0.62 . . . . 1.28 110.288 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.432 HG12 HD23 ' A' ' 109' ' ' LEU . 73.8 mt -103.36 132.86 48.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.13 -0.941 . . . . 0.21 110.534 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -97.89 123.6 41.94 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.116 -0.698 . . . . 0.3 109.116 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.569 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.3 t -107.29 128.49 62.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.33 -0.619 . . . . 0.25 109.33 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.47 153.93 18.89 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.051 -0.595 . . . . 0.24 112.628 -172.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.9 16.27 77.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.829 -0.701 . . . . 0.24 112.617 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.2 mt -74.88 133.77 75.72 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 120.658 0.266 . . . . 0.2 111.094 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 19.1 Cg_endo -60.67 146.02 97.89 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.378 2.052 . . . . 0.28 110.94 173.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -64.59 -15.19 60.69 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.804 0.335 . . . . 0.54 111.322 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -77.28 -22.0 52.74 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.366 -0.379 . . . . 2.37 111.548 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.9 m -55.64 136.12 50.7 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 111.733 0.272 . . . . 0.35 111.733 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.6 p -110.77 163.44 13.76 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.031 0.443 . . . . 0.26 110.197 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -53.79 -32.65 53.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.762 -0.654 . . . . 0.55 110.324 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.62 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 38.8 ttmt -68.71 -38.2 80.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.728 -0.669 . . . . 2.24 110.774 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.8 m -62.12 -36.94 83.26 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.024 0.44 . . . . 0.39 110.415 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.3 mt -70.77 -41.09 72.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.108 -0.497 . . . . 0.26 110.199 176.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -55.62 -55.27 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.66 -0.7 . . . . 0.7 111.213 176.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.62 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 14.4 mm-40 -59.53 -44.6 93.16 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.06 0.393 . . . . 2.68 112.06 -175.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -70.77 -52.84 18.16 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.575 -0.45 . . . . 0.85 111.459 -172.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.447 ' HB2' HD11 ' A' ' 61' ' ' ILE . 77.2 m-85 -71.72 -28.32 63.6 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.638 0.977 . . . . 0.24 113.638 -176.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -66.34 -16.21 63.87 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.257 -0.577 . . . . 1.93 110.562 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -67.58 -18.65 65.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 2.06 111.292 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.408 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 77.3 m-85 -91.71 -22.58 20.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.986 0.422 . . . . 0.3 110.517 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.518 ' HA3' ' HB3' ' A' ' 88' ' ' SER . . . 165.9 -176.19 41.36 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.441 -0.663 . . . . 1.36 111.441 -178.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.83 136.9 47.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.091 0.472 . . . . 0.65 110.88 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 55' ' ' PHE . 40.5 mt -105.64 134.78 46.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.689 -0.687 . . . . 0.22 110.918 178.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.464 ' HG2' ' HE2' ' A' ' 84' ' ' LYS . 0.5 OUTLIER -80.06 -44.73 19.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.107 -0.951 . . . . 1.59 109.537 175.685 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -158.9 136.49 10.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.364 -0.835 . . . . 2.3 110.156 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.08 115.38 12.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.883 -0.414 . . . . 0.17 109.883 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.4 m -138.06 151.84 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.857 0.36 . . . . 0.32 111.648 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.06 134.82 32.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.435 -0.95 . . . . 0.23 108.435 171.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.494 HG12 ' HA2' ' A' ' 79' ' ' GLY . 14.1 mm -83.55 128.53 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.71 0.767 . . . . 0.17 111.869 -169.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.44 HG22 ' HA ' ' A' ' 75' ' ' SER . 46.4 p -124.27 146.42 48.78 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.289 -1.323 . . . . 0.34 109.318 -178.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.407 ' OD1' ' HD3' ' A' ' 70' ' ' ARG . 5.7 t70 -57.3 135.56 56.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.602 0.239 . . . . 0.64 110.624 173.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.408 ' HB3' ' OP2' ' B' ' 7' ' ' ' DC' . 0.1 OUTLIER -62.39 -24.52 67.43 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.076 0.769 . . . . 5.24 113.076 -178.027 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -86.01 -55.55 3.89 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.651 -0.42 . . . . 1.65 111.752 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.5 p -91.02 -14.16 31.92 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.141 0.423 . . . . 0.71 112.141 -173.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 61.05 29.85 19.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.211 -0.904 . . . . 1.42 110.333 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -104.12 139.84 38.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.704 -0.68 . . . . 2.2 110.546 -177.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.44 ' HA ' HG22 ' A' ' 68' ' ' THR . 15.2 m -60.44 133.47 56.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.245 0.545 . . . . 1.15 111.467 -175.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -97.5 18.45 15.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.864 -0.607 . . . . 2.16 111.189 -176.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.406 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 75.47 16.7 80.47 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.956 -0.64 . . . . 0.26 114.303 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.569 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 47.7 p90 -156.49 167.64 29.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.267 0.534 . . . . 0.46 110.497 176.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.494 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -151.26 -177.19 24.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.778 -0.725 . . . . 0.14 113.038 -175.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.464 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 47.8 m-85 -132.36 139.76 48.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.58 0.705 . . . . 0.31 111.904 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.6 t -127.16 126.61 68.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 114.401 -1.272 . . . . 0.29 109.574 172.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.7 m -106.43 110.36 22.55 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.06 -1.089 . . . . 0.26 108.06 175.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.483 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.4 mmm -83.48 149.41 26.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.083 0.468 . . . . 0.43 110.001 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.464 ' HE2' ' HG2' ' A' ' 62' ' ' GLU . 12.3 ttmt -76.33 -17.11 59.58 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.624 -0.716 . . . . 1.46 110.883 -177.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.8 147.33 38.88 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.399 -0.364 . . . . 1.02 111.084 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.541 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 33.0 ttm180 -63.99 -44.33 93.0 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 112.75 0.648 . . . . 2.95 112.75 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.661 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -64.57 -40.37 95.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.891 0.377 . . . . 0.27 110.519 -175.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.518 ' HB3' ' HA3' ' A' ' 59' ' ' GLY . 16.1 m -62.36 -43.47 98.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.637 -0.71 . . . . 0.55 109.977 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.483 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -63.17 -42.35 99.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.237 -0.892 . . . . 0.17 111.572 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -69.51 -37.14 77.03 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.395 -0.366 . . . . 2.08 111.126 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.661 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 49.4 mtp180 -59.8 -38.74 82.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.995 0.426 . . . . 3.23 110.07 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.408 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -63.21 -39.34 94.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.542 -0.754 . . . . 0.2 111.385 174.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 61.4 m -82.28 -9.32 59.52 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.073 0.397 . . . . 0.32 112.073 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -64.79 -35.38 80.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.665 0.269 . . . . 2.9 111.088 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -113.46 92.67 24.14 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 108.228 -1.027 . . . . 1.12 108.228 172.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.521 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 56.9 Cg_endo -69.72 2.55 3.41 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.225 2.616 . . . . 0.48 114.233 -170.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.506 ' N ' ' HD3' ' A' ' 98' ' ' PRO . 15.7 m120 -126.08 53.87 9.77 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 112.873 0.694 . . . . 0.67 112.873 -176.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.517 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 3.4 Cg_exo -74.29 144.15 32.62 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.428 2.085 . . . . 0.48 112.087 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.1 mm -81.64 110.96 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.839 -0.43 . . . . 0.43 109.839 176.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.9 mt -121.57 122.98 68.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.488 -0.324 . . . . 0.44 110.927 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.9 t70 58.84 39.37 24.06 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.783 0.801 . . . . 1.33 110.243 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 77.55 6.81 87.01 Favored Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.366 -0.834 . . . . 0.51 113.723 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.438 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 52.8 ttt180 -133.09 134.27 44.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.937 0.368 . . . . 1.97 110.754 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.406 ' HD3' ' HB3' ' A' ' 97' ' ' ASN . 23.5 ttmm -67.53 123.45 20.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.983 0.421 . . . . 1.87 110.147 177.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.58 160.15 15.9 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.305 -0.861 . . . . 0.21 110.255 -176.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 94.9 m-20 -111.01 115.35 29.33 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.843 -0.799 . . . . 1.53 108.843 177.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.467 HG22 HG13 ' A' ' 39' ' ' VAL . 91.1 t -114.39 128.18 71.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.05 -0.523 . . . . 0.38 111.596 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -152.73 153.55 33.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.875 -0.602 . . . . 0.61 109.74 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.432 HD23 HG12 ' A' ' 37' ' ' ILE . 98.5 mt -56.48 130.35 44.55 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.756 -0.461 . . . . 0.23 109.756 173.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.08 -32.11 69.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.328 0.862 . . . . 0.22 113.328 -168.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -67.85 -15.06 63.44 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.734 -0.386 . . . . 0.44 111.527 -176.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.5 mt -74.17 -8.14 55.11 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.594 0.59 . . . . 0.44 112.594 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -150.82 13.37 0.87 Allowed Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 120.182 -1.008 . . . . 0.38 112.311 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.11 145.4 32.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.873 -0.163 . . . . 0.58 111.043 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -81.49 124.29 80.28 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.387 0.613 . . . . 2.02 110.941 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.447 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 83.3 Cg_endo -88.06 63.38 3.43 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.657 2.905 . . . . 2.19 112.702 -178.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' A' ' 116' ' ' PRO . 22.3 mmt180 69.74 19.8 7.09 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.371 0.419 . . . . 6.53 111.384 178.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.1 p -75.0 -59.34 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.588 -0.278 . . . . 4.39 111.74 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -149.03 103.07 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 6.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.99 118.19 15.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 N-CA-C 109.37 -0.604 . . . . 5.72 109.37 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.551 -0.738 . . . . 7.98 110.418 -177.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.579 0 C3'-C2'-C1' 100.937 -1.26 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.406 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.596 0 N19-C1'-C2' 115.862 1.039 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.419 ' C2 ' ' C5 ' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C4'-C3'-C2' 101.859 -1.341 . . . . 2.05 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.482 " H2'" ' N3 ' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C4'-C3'-C2' 104.644 1.444 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.464 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 N19-C1'-C2' 115.476 0.797 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . 0.552 ' OP1' ' HA2' ' A' ' 25' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.628 0 P-O5'-C5' 122.338 0.899 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.408 ' OP2' ' HB3' ' A' ' 70' ' ' ARG . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 P-O5'-C5' 121.789 0.555 . . . . 5.33 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.824 0 N-CA-C 111.869 -0.492 . . . . 7.06 111.869 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.98 -1.2 57.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.745 0.307 . . . . 4.34 111.639 -174.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.6 tpt -70.1 -6.87 36.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.147 0.499 . . . . 6.94 111.276 -177.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.79 -24.03 76.81 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.082 -0.58 . . . . 3.16 112.643 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.0 t -102.07 95.53 6.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.563 0.697 . . . . 4.65 109.504 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' C ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -102.87 0.14 32.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.328 -0.851 . . . . 5.5 110.708 -178.47 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.06 -27.79 22.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.206 -0.906 . . . . 2.39 110.877 176.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.661 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 34.9 p -97.38 -1.26 44.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.046 -0.524 . . . . 0.76 111.058 177.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 57.9 ttm -51.66 -54.74 24.76 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.003 0.742 . . . . 0.91 113.003 -173.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.587 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 79.5 m-85 -105.34 -0.53 26.11 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 120.765 -0.374 . . . . 0.86 111.274 -177.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.533 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 32.3 p -104.43 -25.03 12.97 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 111.803 0.298 . . . . 0.25 111.803 -175.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.661 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 54.4 tttm -87.69 112.05 21.95 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 121.299 0.571 . . . . 1.28 110.087 -177.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.66 HD11 ' HA ' ' A' ' 89' ' ' ALA . 67.0 mt -99.6 134.75 37.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.295 -0.866 . . . . 0.21 110.173 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -99.13 123.77 43.67 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.097 -0.705 . . . . 0.3 109.097 172.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.499 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 6.4 t -105.73 124.51 60.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.684 -0.487 . . . . 0.25 109.684 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.71 155.9 19.82 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.826 -0.702 . . . . 0.24 112.501 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.16 26.97 60.81 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.711 -0.757 . . . . 0.24 112.56 177.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.463 HD11 HD21 ' A' ' 51' ' ' LEU . 87.0 mt -84.64 142.98 40.29 Favored Pre-proline 0 C--N 1.323 -0.568 0 C-N-CA 122.214 0.206 . . . . 0.2 110.501 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.527 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 18.8 Cg_endo -62.22 141.1 86.77 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 121.972 1.781 . . . . 0.28 110.068 171.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -59.62 -30.19 68.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.492 0.553 . . . . 0.54 112.492 -171.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.455 ' HD2' ' HB2' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -76.83 -10.16 59.18 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.166 0.432 . . . . 2.37 112.166 -177.241 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.527 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 51.7 m -56.99 136.18 56.25 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.0 0.428 . . . . 0.35 111.441 179.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.0 p -111.58 166.47 11.12 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.98 -0.555 . . . . 0.26 110.928 -176.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -53.29 -36.13 60.85 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.606 -0.725 . . . . 0.55 110.305 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.453 ' NZ ' ' HB2' ' A' ' 49' ' ' LYS . 4.0 ttmp? -60.58 -42.76 97.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.341 -0.845 . . . . 2.24 110.855 178.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.454 ' HB ' HG23 ' A' ' 46' ' ' THR . 17.2 m -61.45 -41.44 97.22 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.838 0.351 . . . . 0.39 110.711 -178.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.463 HD21 HD11 ' A' ' 42' ' ' LEU . 26.2 mt -71.31 -41.9 69.31 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.222 -0.445 . . . . 0.26 110.484 177.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -56.26 -55.65 30.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.506 -0.77 . . . . 0.7 110.702 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.17 -45.68 90.39 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.508 0.559 . . . . 2.68 112.508 -177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -69.41 -53.35 19.81 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.541 -0.464 . . . . 0.85 111.93 -172.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.504 ' HB2' HD11 ' A' ' 61' ' ' ILE . 69.0 m-85 -72.9 -28.36 62.42 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.807 1.04 . . . . 0.24 113.807 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.506 ' HB3' HD12 ' A' ' 61' ' ' ILE . 15.9 pt-20 -70.0 -15.92 63.09 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.129 -0.628 . . . . 1.93 110.927 -175.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -70.47 -7.63 44.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.482 -0.326 . . . . 2.06 111.351 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -91.28 -15.06 29.77 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.872 0.368 . . . . 0.3 110.507 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.11 -111.36 0.44 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.916 -0.659 . . . . 1.36 112.615 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -127.07 123.76 37.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.736 0.303 . . . . 0.65 111.171 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.506 HD12 ' HB3' ' A' ' 56' ' ' GLU . 25.5 mt -94.84 133.6 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.069 0.462 . . . . 0.22 111.248 174.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -88.59 -37.94 15.26 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.665 -0.698 . . . . 1.59 110.268 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -159.33 134.31 8.14 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.155 -0.683 . . . . 2.3 109.155 177.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.02 115.63 11.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.949 0.34 . . . . 0.17 111.113 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.76 149.03 23.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.151 0.5 . . . . 0.32 112.257 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.467 HG21 HG22 ' A' ' 46' ' ' THR . 99.0 t -91.02 135.15 27.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 107.861 -1.162 . . . . 0.23 107.861 171.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.909 HG12 ' HA2' ' A' ' 79' ' ' GLY . 24.9 mm -84.02 126.5 40.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.262 0.553 . . . . 0.17 111.073 -168.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.8 p -119.11 145.8 45.65 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.02 -0.991 . . . . 0.34 108.804 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.408 ' HB3' ' OG1' ' A' ' 72' ' ' THR . 20.5 t70 -57.77 137.88 56.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.219 0.533 . . . . 0.64 111.879 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -57.71 -33.76 68.74 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.139 -0.937 . . . . 5.24 112.908 -176.508 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -97.24 -16.4 20.38 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.744 1.016 . . . . 1.65 113.744 -173.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.408 ' OG1' ' HB3' ' A' ' 69' ' ' ASP . 33.0 p -123.28 -24.22 4.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.425 0.631 . . . . 0.71 111.023 -173.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 64.78 29.4 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.402 -1.272 . . . . 1.42 109.878 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -93.75 134.16 36.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.948 -1.024 . . . . 2.2 109.701 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.5 m -60.27 134.37 56.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.177 0.513 . . . . 1.15 110.856 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.4 mtp85 -91.89 11.08 26.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.511 0.672 . . . . 2.16 109.949 -177.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.998 ' HA3' ' H22' ' B' ' 2' ' ' ' DG' . . . 74.42 17.91 79.84 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.984 -1.007 . . . . 0.26 112.88 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.499 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 26.4 p90 -154.89 167.39 30.46 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 109.361 -0.607 . . . . 0.46 109.361 177.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.909 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -157.82 -171.51 23.87 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.297 -0.954 . . . . 0.14 112.693 -176.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.61 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 55.0 m-85 -133.18 138.85 46.74 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.918 0.866 . . . . 0.31 111.671 -178.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.4 t -123.32 124.74 70.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-N 113.908 -1.497 . . . . 0.29 109.345 174.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.6 m -106.32 107.69 18.83 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.19 -1.041 . . . . 0.26 108.19 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.524 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.2 mmm -85.59 140.61 30.47 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.9 -0.408 . . . . 0.43 109.9 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -68.42 -17.59 64.25 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.535 -0.757 . . . . 1.46 110.613 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -141.37 148.36 39.52 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-O 120.843 0.354 . . . . 1.02 110.627 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.587 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 52.8 ttt180 -63.36 -42.98 98.93 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.912 -0.585 . . . . 2.95 111.961 -177.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.5 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -61.96 -40.37 95.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.905 0.383 . . . . 0.27 110.649 -172.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.3 m -64.54 -43.94 92.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.925 -0.579 . . . . 0.55 110.153 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.66 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -62.99 -44.72 95.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.823 -0.626 . . . . 0.17 111.363 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.418 ' HG2' ' NZ ' ' A' ' 94' ' ' LYS . 45.6 tt0 -69.94 -34.81 73.93 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.965 -0.562 . . . . 2.08 111.913 -175.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 16.3 mtm180 -60.87 -39.69 90.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.938 -0.764 . . . . 3.23 108.938 175.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.89 98.48 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.476 -0.784 . . . . 0.2 111.381 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.9 m -82.31 -11.75 58.43 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.404 0.52 . . . . 0.32 112.404 -176.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -68.15 -31.74 71.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.778 0.323 . . . . 2.9 110.175 -176.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -105.07 111.23 65.19 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 109.034 -0.728 . . . . 1.12 109.034 172.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.622 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.0 Cg_endo -70.57 -13.47 32.65 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.434 2.09 . . . . 0.48 114.462 -175.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.571 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 7.9 m120 -134.36 64.21 63.81 Favored Pre-proline 0 N--CA 1.466 0.356 0 N-CA-C 112.965 0.728 . . . . 0.67 112.965 -173.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 8.4 Cg_exo -73.99 145.18 35.3 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.594 2.196 . . . . 0.48 111.43 171.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.3 mm -83.67 111.83 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.109 -0.33 . . . . 0.43 110.109 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.4 mt -124.56 132.9 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.132 -0.486 . . . . 0.44 110.362 -178.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 t0 58.43 33.06 22.8 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.46 0.648 . . . . 1.33 110.113 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.39 12.78 80.09 Favored Glycine 0 CA--C 1.519 0.341 0 CA-C-N 116.034 -0.53 . . . . 0.51 113.138 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -134.23 141.08 46.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.979 0.418 . . . . 1.97 111.622 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' A' ' 104' ' ' LYS . 37.6 ttmt -66.76 119.54 12.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.879 0.371 . . . . 1.87 110.524 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.571 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.53 159.38 16.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.047 -0.524 . . . . 0.21 110.605 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.622 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 32.1 t-20 -113.07 116.34 29.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.214 -0.661 . . . . 1.53 109.214 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 38.4 t -111.6 140.94 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.107 0.479 . . . . 0.38 111.947 -176.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -160.16 147.9 16.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.737 -0.665 . . . . 0.61 109.484 175.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.9 mt -55.72 127.56 30.59 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.802 -0.444 . . . . 0.23 109.802 171.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.61 -31.53 72.39 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.291 0.849 . . . . 0.22 113.291 -168.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -69.02 -17.83 63.96 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.444 -0.502 . . . . 0.44 110.857 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 81.2 mt -71.64 -7.9 50.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.924 -0.58 . . . . 0.44 112.182 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.17 13.36 1.09 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.373 -0.918 . . . . 0.38 112.449 -175.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.38 123.22 28.37 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.761 -0.376 . . . . 0.58 110.546 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -84.37 146.39 47.48 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.165 -0.47 . . . . 2.02 111.034 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -74.45 31.98 0.35 Allowed 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 123.002 2.468 . . . . 2.19 113.308 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.433 ' HD3' ' C ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -98.46 -53.65 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.27 -1.011 . . . . 6.53 108.27 178.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.6 t -89.88 122.17 32.67 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.365 -0.834 . . . . 4.39 109.422 174.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -104.56 21.25 17.11 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.216 -0.447 . . . . 6.0 110.516 -177.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.7 t 74.88 -54.39 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 115.753 -0.658 . . . . 5.72 111.204 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.693 -0.67 . . . . 7.98 109.913 -178.912 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.557 0 O5'-C5'-C4' 111.852 1.18 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.998 ' H22' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.63 0 C3'-C2'-C1' 100.832 -1.334 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 C3'-C2'-C1' 101.416 -0.917 . . . . 2.05 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.588 " H2'" ' N3 ' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 C4'-C3'-C2' 104.34 1.14 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.61 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.431 -0.553 0 O4'-C1'-N19 109.25 1.812 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . 0.468 ' N7 ' ' HE2' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C5'-C4'-C3' 115.676 0.651 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C4'-C3' 104.384 -1.216 . . . . 5.33 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 N-CA-C 111.836 -0.506 . . . . 7.06 111.836 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.25 -43.47 28.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.009 0.433 . . . . 4.34 110.201 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 24.3 ptm -131.21 168.7 17.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.624 -0.716 . . . . 6.94 109.709 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.86 -17.04 71.02 Favored Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 121.268 -0.492 . . . . 3.16 113.255 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.4 m -80.91 96.64 7.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.148 0.499 . . . . 4.65 110.207 177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.833 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -103.98 -7.66 20.19 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.732 -0.667 . . . . 5.5 110.562 -179.44 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -64.94 -21.63 66.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.663 -0.699 . . . . 2.39 110.784 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -99.59 -2.43 35.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.779 -0.646 . . . . 0.76 111.807 -178.052 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 76.3 mtp -56.5 -49.82 73.59 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.764 0.653 . . . . 0.91 112.764 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -104.72 -0.13 27.72 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.969 -0.457 . . . . 0.86 111.156 -173.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.8 p -109.97 -21.73 12.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.855 0.359 . . . . 0.25 111.881 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.502 ' HB2' HG22 ' A' ' 32' ' ' THR . 81.8 tttt -92.67 117.61 30.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 1.28 110.054 -175.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.593 HD11 ' HA ' ' A' ' 89' ' ' ALA . 63.3 mt -102.06 133.83 44.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.903 -0.59 . . . . 0.21 110.365 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -98.6 124.09 43.17 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.35 -0.981 . . . . 0.3 108.35 171.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.2 t -109.73 130.98 61.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.378 -0.601 . . . . 0.25 109.378 -177.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.23 165.25 20.47 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.086 -0.578 . . . . 0.24 111.697 -173.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.99 10.18 67.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.565 -0.826 . . . . 0.24 112.959 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.2 mt -66.4 132.25 94.3 Favored Pre-proline 0 C--N 1.326 -0.425 0 C-N-CA 122.249 0.22 . . . . 0.2 110.629 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.674 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 18.2 Cg_endo -59.71 143.23 99.68 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.086 1.857 . . . . 0.28 109.79 174.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -62.32 -14.19 36.78 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.033 0.383 . . . . 0.54 112.033 -173.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -75.07 -22.15 58.51 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 121.125 -0.23 . . . . 2.37 111.3 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.6 m -54.65 130.72 41.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.816 0.341 . . . . 0.35 111.571 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.8 p -111.91 165.38 12.14 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.306 -0.406 . . . . 0.26 110.326 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -54.0 -35.35 61.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.705 -0.68 . . . . 0.55 110.653 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.764 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 18.1 ttmm -65.5 -42.18 92.39 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.655 -0.702 . . . . 2.24 110.616 177.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.1 m -61.61 -39.06 89.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.83 0.348 . . . . 0.39 111.051 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.0 mt -70.9 -43.4 68.39 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.742 -0.466 . . . . 0.26 109.742 177.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.451 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 52.7 t-80 -56.05 -56.29 22.61 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.601 -0.727 . . . . 0.7 110.818 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.764 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 3.6 mm-40 -59.61 -39.94 85.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.748 0.277 . . . . 2.68 111.748 -175.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -70.53 -55.49 8.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.992 0.425 . . . . 0.85 111.676 -174.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.667 ' HB2' HD11 ' A' ' 61' ' ' ILE . 82.5 m-85 -74.34 -27.33 60.63 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.743 1.016 . . . . 0.24 113.743 -176.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.472 ' HG2' ' HB ' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -61.16 -24.48 66.32 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.07 0.462 . . . . 1.93 111.453 -177.537 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -72.29 -7.61 50.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.972 -0.558 . . . . 2.06 111.993 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 82.9 m-85 -91.62 -31.67 15.78 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.421 0.526 . . . . 0.3 112.421 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.837 ' HA3' ' HB3' ' A' ' 88' ' ' SER . . . 155.99 60.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 119.033 -1.556 . . . . 1.36 114.273 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.429 ' HB3' ' HE3' ' A' ' 84' ' ' LYS . 2.8 m-20 72.82 123.17 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 124.309 1.044 . . . . 0.65 113.382 171.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.667 HD11 ' HB2' ' A' ' 55' ' ' PHE . 13.7 mt -101.11 136.85 30.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.147 -0.933 . . . . 0.22 112.059 172.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.518 ' OE1' ' HE2' ' A' ' 84' ' ' LYS . 13.8 mm-40 -80.87 -48.98 11.62 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.515 -1.221 . . . . 1.59 109.958 170.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -154.54 139.13 16.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.006 -0.997 . . . . 2.3 110.555 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.472 ' HB2' HD13 ' A' ' 61' ' ' ILE . . . -137.36 114.62 10.9 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.188 -0.301 . . . . 0.17 110.188 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.6 m -139.04 149.24 23.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.88 0.372 . . . . 0.32 111.578 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.8 t -91.92 134.02 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.462 -0.94 . . . . 0.23 108.462 170.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.847 HG12 ' HA2' ' A' ' 79' ' ' GLY . 29.9 mm -83.19 125.53 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 CA-C-O 121.662 0.744 . . . . 0.17 111.071 -170.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 75' ' ' SER . 37.9 p -123.71 148.0 46.95 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 114.601 -1.181 . . . . 0.34 108.838 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.418 ' OD2' ' HB2' ' A' ' 71' ' ' ASN . 4.7 t70 -57.52 136.41 56.71 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.843 -0.343 . . . . 0.64 110.394 173.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.553 ' HD3' " H5'" ' B' ' 7' ' ' ' DC' . 5.3 mtm180 -57.61 -39.2 76.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.05 0.453 . . . . 5.24 111.167 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.418 ' HB2' ' OD2' ' A' ' 69' ' ' ASP . 52.6 m-80 -75.02 -58.68 3.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 1.65 112.012 -172.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.3 p -92.39 -21.72 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.151 0.426 . . . . 0.71 112.151 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 64.9 mt-30 67.89 27.89 7.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.367 -0.833 . . . . 1.42 110.183 177.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -87.67 135.51 33.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.985 -1.007 . . . . 2.2 109.468 178.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.513 ' HA ' HG22 ' A' ' 68' ' ' THR . 11.0 p -58.54 129.75 43.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.243 0.544 . . . . 1.15 111.079 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -90.8 11.53 22.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.862 -0.608 . . . . 2.16 110.424 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.738 ' HA3' ' H22' ' B' ' 2' ' ' ' DG' . . . 74.3 18.27 79.81 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.457 -0.792 . . . . 0.26 113.735 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.578 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 47.9 p90 -157.38 168.56 27.0 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.745 -0.465 . . . . 0.46 109.745 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.847 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -159.28 -171.7 25.44 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.339 -0.934 . . . . 0.14 112.629 -175.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.61 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 55.4 m-85 -131.27 139.24 49.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.563 0.697 . . . . 0.31 112.028 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.6 t -125.59 127.33 71.53 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 114.612 -1.176 . . . . 0.29 109.027 167.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.8 m -104.47 110.18 22.35 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 107.554 -1.276 . . . . 0.26 107.554 173.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.549 ' CE ' ' HB2' ' A' ' 88' ' ' SER . 97.7 mmm -84.53 153.7 23.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.105 0.479 . . . . 0.43 109.854 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.518 ' HE2' ' OE1' ' A' ' 62' ' ' GLU . 26.4 ttmt -73.69 -17.95 61.07 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.165 -0.925 . . . . 1.46 110.636 -176.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -145.27 154.22 42.13 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.994 -0.548 . . . . 1.02 110.433 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -65.17 -42.54 93.57 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.705 -0.68 . . . . 2.95 111.826 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.741 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -66.83 -39.92 87.81 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.28 -0.168 . . . . 0.27 111.179 -175.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.837 ' HB3' ' HA3' ' A' ' 59' ' ' GLY . 1.4 p -61.83 -44.01 97.69 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.356 0.598 . . . . 0.55 109.785 177.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.593 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -62.19 -41.56 98.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.07 -0.968 . . . . 0.17 110.917 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -70.73 -38.77 73.61 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 112.571 0.582 . . . . 2.08 112.571 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.741 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 90.1 mtt180 -61.7 -36.25 80.36 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 119.811 -0.756 . . . . 3.23 109.091 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -64.9 -37.63 88.27 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.067 -0.969 . . . . 0.2 111.551 172.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 78.5 m -80.01 -11.65 59.77 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.559 0.219 . . . . 0.32 111.521 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HA ' ' HD2' ' A' ' 94' ' ' LYS . 24.1 tptp -71.23 -26.47 62.94 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.677 -0.409 . . . . 2.9 110.404 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -103.26 89.73 2.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 108.011 -1.107 . . . . 1.12 108.011 168.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.614 ' C ' HD22 ' A' ' 97' ' ' ASN . 58.1 Cg_endo -70.03 -14.39 35.16 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.733 2.288 . . . . 0.48 113.283 -171.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.614 HD22 ' C ' ' A' ' 96' ' ' PRO . 1.1 m-80 -128.87 59.87 46.35 Favored Pre-proline 0 C--O 1.237 0.447 0 N-CA-C 111.754 0.279 . . . . 0.67 111.754 -175.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.422 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 5.3 Cg_exo -73.1 146.12 40.59 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.587 2.192 . . . . 0.48 112.205 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.5 mm -84.79 110.98 19.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.097 0.475 . . . . 0.43 110.409 176.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.5 mt -121.98 119.87 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.727 -0.669 . . . . 0.44 110.012 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.47 ' HB3' ' CG ' ' A' ' 43' ' ' PRO . 22.2 t70 59.67 34.95 22.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.808 0.813 . . . . 1.33 110.516 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.4 0.31 86.53 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.592 -0.731 . . . . 0.51 113.672 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.674 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 17.9 tpt180 -116.05 137.59 51.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.057 0.428 . . . . 1.97 110.331 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.464 ' HD3' ' OD1' ' A' ' 97' ' ' ASN . 24.2 ttmm -71.43 119.34 15.44 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.641 -0.503 . . . . 1.87 109.641 173.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.03 159.78 16.04 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.212 -0.449 . . . . 0.21 110.999 -176.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -104.04 135.03 46.31 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.415 -0.811 . . . . 1.53 109.471 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 61.6 t -132.15 127.22 57.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.219 -0.446 . . . . 0.38 111.139 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -159.28 148.22 18.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.881 -0.6 . . . . 0.61 109.87 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.8 mt -56.11 127.35 30.2 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.12 -0.696 . . . . 0.23 109.12 172.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.72 -35.39 68.49 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.906 0.706 . . . . 0.22 112.906 -170.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -67.36 -19.15 65.39 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.77 -0.372 . . . . 0.44 111.206 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.5 mt -72.52 -7.85 52.13 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 112.236 0.458 . . . . 0.44 112.236 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.12 13.56 2.34 Favored Glycine 0 C--N 1.322 -0.231 0 N-CA-C 111.144 -0.782 . . . . 0.38 111.144 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.14 147.43 32.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.435 -0.383 . . . . 0.58 110.548 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 35.5 mmtp -78.13 133.73 64.46 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.539 -0.301 . . . . 2.02 110.969 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 115' ' ' LYS . 3.3 Cg_exo -75.29 170.56 20.06 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 123.098 2.532 . . . . 2.19 111.078 173.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 61.81 25.19 15.12 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 122.442 0.297 . . . . 6.53 111.313 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.5 149.75 31.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.938 0.399 . . . . 4.39 111.525 -177.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -92.48 169.08 10.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.088 -0.506 . . . . 6.0 110.651 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 40.9 t -84.92 143.7 11.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.051 -0.522 . . . . 5.72 110.277 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.768 -0.634 . . . . 7.98 109.446 175.781 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.624 0 O5'-C5'-C4' 111.288 0.777 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.738 ' H22' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 C3'-C2'-C1' 100.641 -1.471 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.615 0 C3'-C2'-C1' 99.935 -1.975 . . . . 2.05 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 C1'-O4'-C4' 106.761 -2.1 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.61 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 N19-C1'-C2' 116.164 1.227 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . 0.469 ' O6 ' ' HE3' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.432 -0.52 0 O4'-C4'-C3' 106.282 0.682 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.553 " H5'" ' HD3' ' A' ' 70' ' ' ARG . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 P-O3'-C3' 120.654 0.795 . . . . 5.33 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.777 0 CA-C-O 119.98 -0.345 . . . . 7.06 112.701 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 27' ' ' MET . . . 73.44 -50.24 0.69 Allowed 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.027 1.121 . . . . 4.34 114.027 170.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.554 ' HB2' ' O ' ' A' ' 26' ' ' ALA . 60.3 mtt 81.0 165.81 0.16 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.891 0.877 . . . . 6.94 110.582 -172.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.02 -164.46 19.58 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 111.543 -0.623 . . . . 3.16 111.543 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.3 t -158.24 127.57 5.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.893 0.347 . . . . 4.65 110.77 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -152.66 144.99 23.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.735 -0.666 . . . . 5.5 109.629 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.76 -9.61 15.42 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.564 0.697 . . . . 2.39 111.167 -177.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.497 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 0.0 OUTLIER -96.62 0.33 49.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.528 -0.76 . . . . 0.76 111.242 -176.465 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.3 ttt -53.62 -51.49 62.91 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.316 0.487 . . . . 0.91 112.316 -177.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -105.33 0.75 27.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.826 0.346 . . . . 0.86 111.709 -174.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.497 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 10.7 p -108.13 -17.27 14.07 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.95 0.405 . . . . 0.25 111.426 -176.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.533 ' HE3' ' O6 ' ' B' ' 6' ' ' ' DG' . 84.5 tttt -89.34 113.87 25.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.088 -0.505 . . . . 1.28 110.239 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.658 HD11 ' HA ' ' A' ' 89' ' ' ALA . 57.6 mt -100.61 134.64 39.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.632 -0.713 . . . . 0.21 110.721 -178.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -100.43 123.62 44.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.523 -0.547 . . . . 0.3 109.523 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.592 HG13 HG22 ' A' ' 107' ' ' VAL . 5.2 t -106.22 125.83 61.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.945 -0.391 . . . . 0.25 109.945 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.4 157.46 20.84 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.168 -0.539 . . . . 0.24 112.212 -173.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.51 ' O ' ' HD3' ' A' ' 103' ' ' ARG . . . 84.49 5.51 86.82 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.719 -0.753 . . . . 0.24 112.639 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.93 130.04 93.97 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 122.315 0.246 . . . . 0.2 111.201 -177.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HB2' ' HD2' ' A' ' 45' ' ' HIS . 9.9 Cg_endo -57.08 143.37 93.14 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.21 1.94 . . . . 0.28 109.91 170.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -59.93 -28.35 67.53 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.193 0.442 . . . . 0.54 112.193 -172.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.452 ' HD2' ' HB2' ' A' ' 43' ' ' PRO . 2.9 p80 -81.12 -8.3 59.74 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.723 0.638 . . . . 2.37 112.723 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.429 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 49.9 m -56.13 138.63 49.42 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.86 0.362 . . . . 0.35 111.165 173.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.5 p -110.71 161.76 15.44 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 121.22 0.533 . . . . 0.26 111.256 -176.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -53.8 -34.26 58.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.413 -0.812 . . . . 0.55 110.72 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -67.28 -36.22 81.1 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 116.21 -0.45 . . . . 2.24 110.805 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.421 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 22.1 m -65.37 -39.14 91.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.703 0.287 . . . . 0.39 111.174 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.41 HD22 ' HE1' ' A' ' 55' ' ' PHE . 25.1 mt -70.41 -42.82 71.13 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.095 -0.642 . . . . 0.26 109.765 177.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -55.81 -56.51 19.71 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.687 -0.688 . . . . 0.7 110.656 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HA ' ' OE2' ' A' ' 56' ' ' GLU . 9.3 pt-20 -60.29 -41.99 94.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.889 0.7 . . . . 2.68 112.889 -174.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -69.78 -52.91 21.1 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.382 -0.372 . . . . 0.85 110.857 -175.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.426 ' HB2' HD11 ' A' ' 61' ' ' ILE . 71.3 m-85 -74.56 -27.66 60.6 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.614 0.968 . . . . 0.24 113.614 -177.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.428 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 11.1 pt-20 -64.53 -21.29 66.65 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.009 0.433 . . . . 1.93 110.945 -175.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -72.26 -7.75 51.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.233 -0.439 . . . . 2.06 111.181 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -91.62 1.44 57.15 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.63 -0.259 . . . . 0.3 111.553 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.92 -120.16 1.23 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.159 -1.019 . . . . 1.36 113.003 -175.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -126.97 128.98 47.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.65 0.262 . . . . 0.65 110.727 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.465 HG12 ' SD ' ' A' ' 83' ' ' MET . 31.6 mt -100.83 139.92 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.216 0.532 . . . . 0.22 111.883 176.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -88.04 -46.23 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.132 -0.94 . . . . 1.59 110.073 172.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.594 ' HG2' ' H22' ' B' ' 6' ' ' ' DG' . 3.7 tp10 -145.69 134.82 22.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.976 -0.557 . . . . 2.3 109.603 -178.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.46 113.18 10.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 118.193 0.452 . . . . 0.17 110.08 173.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 m -140.06 150.56 21.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.063 0.458 . . . . 0.32 112.038 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.8 t -95.27 134.21 33.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 107.226 -1.398 . . . . 0.23 107.226 168.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.874 HG12 ' HA2' ' A' ' 79' ' ' GLY . 21.5 mm -82.45 128.42 38.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.248 0.547 . . . . 0.17 111.438 -167.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.444 HG22 ' HA ' ' A' ' 75' ' ' SER . 38.8 p -124.87 145.69 49.67 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.013 -0.994 . . . . 0.34 108.933 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 73' ' ' GLN . 25.9 t70 -59.01 138.23 57.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.002 0.371 . . . . 0.64 112.002 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.462 ' HB3' ' OP1' ' B' ' 7' ' ' ' DC' . 0.2 OUTLIER -60.31 -27.88 67.68 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.761 1.023 . . . . 5.24 113.761 -177.04 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -97.71 -50.52 4.43 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.55 0.574 . . . . 1.65 112.55 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.1 p -89.69 -16.47 30.34 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.25 0.548 . . . . 0.71 111.111 -175.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 17.2 mt-30 62.08 29.46 17.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.768 -1.106 . . . . 1.42 110.648 175.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -92.81 133.37 36.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.793 -0.64 . . . . 2.2 110.401 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.444 ' HA ' HG22 ' A' ' 68' ' ' THR . 3.8 m -59.19 128.02 35.06 Favored 'General case' 0 N--CA 1.453 -0.275 0 O-C-N 123.476 0.485 . . . . 1.15 110.365 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.586 ' HD2' HG22 ' A' ' 67' ' ' ILE . 78.1 mtt180 -89.72 12.98 15.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.711 -0.677 . . . . 2.16 111.398 -171.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.513 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 74.25 11.17 82.1 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.695 -0.764 . . . . 0.26 113.501 -178.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 35.1 p90 -152.32 167.11 29.74 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.758 -0.46 . . . . 0.46 109.758 178.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.874 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -154.75 -176.53 27.1 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.414 -0.898 . . . . 0.14 112.794 -175.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.434 ' HD1' HD11 ' A' ' 67' ' ' ILE . 53.0 m-85 -133.83 138.92 45.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.93 0.872 . . . . 0.31 112.238 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.2 t -128.73 126.64 65.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 114.156 -1.384 . . . . 0.29 109.662 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.4 m -104.54 110.21 22.41 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 108.748 -0.834 . . . . 0.26 108.748 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.596 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.5 mmm -84.36 140.21 31.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.336 0.589 . . . . 0.43 109.918 -178.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.427 ' HE3' ' HB2' ' A' ' 84' ' ' LYS . 32.5 ttmt -68.78 -16.45 63.8 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.939 -1.028 . . . . 1.46 110.609 -179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.8 146.42 39.42 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.067 -0.515 . . . . 1.02 110.459 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -67.0 -42.45 84.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.934 -0.575 . . . . 2.95 112.417 -176.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.649 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -62.45 -41.03 98.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.809 0.337 . . . . 0.27 110.379 -176.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -62.4 -43.73 98.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.832 -0.622 . . . . 0.55 109.845 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.658 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -62.19 -41.52 98.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.338 -0.846 . . . . 0.17 110.959 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -69.68 -39.07 77.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.921 -0.581 . . . . 2.08 111.376 -176.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.649 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 21.2 mmm180 -60.66 -39.26 87.71 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.848 -0.427 . . . . 3.23 109.848 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.58 94.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.609 -0.723 . . . . 0.2 111.295 175.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.8 m -82.13 -14.81 55.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.535 . . . . 0.32 112.215 -176.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 94' ' ' LYS . 42.6 tptt -70.81 -31.79 68.64 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.007 -0.277 . . . . 2.9 111.259 -172.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -109.23 88.18 5.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 108.032 -1.099 . . . . 1.12 108.032 169.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.566 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 58.0 Cg_endo -69.72 0.9 4.95 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 123.499 2.799 . . . . 0.48 114.28 -168.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 16.6 m120 -125.59 57.62 18.62 Favored Pre-proline 0 CA--C 1.535 0.384 0 N-CA-C 112.339 0.496 . . . . 0.67 112.339 -177.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.512 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 3.4 Cg_exo -74.85 144.67 31.1 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.449 2.099 . . . . 0.48 111.887 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.2 mm -82.18 109.41 16.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.113 -0.699 . . . . 0.43 109.113 173.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.1 mt -123.89 121.58 62.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.684 -0.689 . . . . 0.44 110.221 -177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.5 t0 59.79 37.98 21.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.914 0.864 . . . . 1.33 110.26 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.94 11.92 85.09 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 114.851 -1.068 . . . . 0.51 114.189 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.51 ' HD3' ' O ' ' A' ' 41' ' ' GLY . 60.9 ttt180 -133.81 149.87 51.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.416 0.608 . . . . 1.97 110.474 176.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -77.99 121.76 24.64 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.54 -0.541 . . . . 1.87 109.54 174.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.521 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.13 159.34 16.39 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.771 -0.649 . . . . 0.21 110.623 -176.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.566 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 77.9 m-20 -114.84 115.6 27.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.144 -0.687 . . . . 1.53 109.144 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.592 HG22 HG13 ' A' ' 39' ' ' VAL . 57.2 t -120.26 138.28 51.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.956 0.407 . . . . 0.38 111.833 -174.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -158.77 159.7 35.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.914 -0.585 . . . . 0.61 110.188 174.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 98.4 mt -55.77 132.23 48.78 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.85 0.357 . . . . 0.23 110.066 173.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.89 -33.12 75.0 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.25 0.833 . . . . 0.22 113.25 -167.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -68.08 -12.11 60.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.851 0.358 . . . . 0.44 111.243 -175.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.4 mt -74.87 -8.1 55.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.44 112.126 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -153.35 13.51 0.61 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.401 -0.904 . . . . 0.38 112.051 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -75.49 145.64 41.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.99 0.424 . . . . 0.58 111.707 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 23.8 mttp -81.4 148.42 62.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.948 -0.569 . . . . 2.02 110.715 177.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 115' ' ' LYS . 37.3 Cg_exo -64.4 -147.64 0.02 OUTLIER 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 124.004 3.136 . . . . 2.19 114.06 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -92.35 85.58 5.43 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 121.195 0.521 . . . . 6.53 109.749 -170.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.0 t -155.7 -47.52 0.08 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.772 -0.649 . . . . 4.39 110.39 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -106.66 2.26 25.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.245 0.545 . . . . 6.0 109.942 175.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 22.8 t -115.91 80.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.962 -0.755 . . . . 5.72 108.962 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 . . . . . 0 C--O 1.252 1.208 0 CA-C-N 115.432 -0.804 . . . . 7.98 110.076 -174.754 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.605 0 O5'-C5'-C4' 111.365 0.832 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.513 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.432 -0.476 0 C3'-C2'-C1' 99.808 -2.065 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.735 " H1'" " O4'" ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.433 -0.461 0 O5'-C5'-C4' 112.465 1.618 . . . . 2.05 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.735 " O4'" " H1'" ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 O4'-C1'-C2' 104.489 -1.464 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 C3'-C2'-C1' 100.494 -1.576 . . . . 1.38 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . 0.594 ' H22' ' HG2' ' A' ' 63' ' ' GLU . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C4'-C3' 106.254 0.654 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.462 ' OP1' ' HB3' ' A' ' 70' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-N19 108.346 0.682 . . . . 5.33 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 111.409 -0.676 . . . . 7.06 111.409 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -119.07 -82.03 0.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.873 0.336 . . . . 4.34 111.054 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.481 ' SD ' ' HB2' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -91.02 -30.02 17.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.088 0.47 . . . . 6.94 110.025 179.646 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 121.56 -116.26 3.07 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.338 -0.705 . . . . 3.16 111.338 -176.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 t -124.98 145.46 49.87 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.912 -0.403 . . . . 4.65 109.912 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -162.47 169.88 19.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.372 -0.376 . . . . 5.5 110.749 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.16 -7.56 6.08 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 124.043 0.937 . . . . 2.39 111.381 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.642 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 7.0 p -124.92 5.92 8.01 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.716 -0.674 . . . . 0.76 112.062 -172.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.2 ttt -51.9 -55.5 19.81 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.407 0.892 . . . . 0.91 113.407 -171.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.553 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 66.1 m-85 -107.74 -2.08 20.37 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.628 -0.429 . . . . 0.86 112.046 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.1 p -102.64 -18.93 15.0 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 111.857 0.317 . . . . 0.25 111.857 -173.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.642 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 87.1 tttt -92.95 113.55 25.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.354 0.597 . . . . 1.28 110.903 -177.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.615 HD11 ' HA ' ' A' ' 89' ' ' ALA . 64.0 mt -100.88 134.52 40.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.3 -0.864 . . . . 0.21 110.372 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -93.55 123.1 36.64 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.258 -0.645 . . . . 0.3 109.258 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 6.5 t -105.11 119.7 54.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.984 -0.747 . . . . 0.25 108.984 178.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.85 154.46 19.3 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.824 -0.703 . . . . 0.24 112.337 -172.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.49 23.84 64.25 Favored Glycine 0 C--O 1.23 -0.137 0 C-N-CA 120.729 -0.748 . . . . 0.24 112.807 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.9 mt -78.99 140.99 58.14 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.639 0.256 . . . . 0.2 110.818 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 33.9 Cg_endo -66.49 148.22 83.48 Favored 'Trans proline' 0 N--CA 1.453 -0.854 0 C-N-CA 122.049 1.833 . . . . 0.28 110.239 171.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -64.85 -14.67 60.22 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 111.764 0.283 . . . . 0.54 111.764 -176.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -75.53 -21.56 57.85 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 121.048 -0.261 . . . . 2.37 111.296 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -55.91 131.12 46.3 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.182 0.515 . . . . 0.35 112.038 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.7 p -111.42 163.62 13.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.637 -0.71 . . . . 0.26 109.765 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.06 -35.52 64.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.298 0.571 . . . . 0.55 110.679 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 2.7 ttmp? -62.37 -42.19 99.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.801 . . . . 2.24 110.893 175.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.7 m -61.22 -39.36 89.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.39 110.934 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.7 mt -71.4 -44.73 64.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.074 0.464 . . . . 0.26 110.139 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -56.4 -55.49 32.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.437 -0.802 . . . . 0.7 111.018 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 8.4 mm-40 -61.2 -41.39 96.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.858 0.688 . . . . 2.68 112.858 -177.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -70.72 -53.17 16.62 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.569 -0.453 . . . . 0.85 111.731 -176.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.49 ' CD1' HG21 ' A' ' 81' ' ' VAL . 62.2 m-85 -71.92 -26.64 62.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.328 0.862 . . . . 0.24 113.328 -176.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -64.1 -17.59 63.57 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.741 -0.384 . . . . 1.93 111.19 -176.795 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -67.47 -8.86 36.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.318 -0.401 . . . . 2.06 111.77 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -91.66 -14.33 30.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.586 0.231 . . . . 0.3 110.989 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 160.72 -107.23 0.31 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.744 -0.741 . . . . 1.36 112.231 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -131.21 136.09 47.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.088 0.471 . . . . 0.65 111.457 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.468 HG12 ' SD ' ' A' ' 83' ' ' MET . 47.6 mt -107.79 134.4 49.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.639 -0.709 . . . . 0.22 110.202 177.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -81.42 -41.91 21.18 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.037 -0.727 . . . . 1.59 109.037 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -159.41 138.79 11.35 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.182 -0.917 . . . . 2.3 110.34 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.438 ' HB2' HG21 ' A' ' 61' ' ' ILE . . . -136.26 115.42 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.106 -0.331 . . . . 0.17 110.106 178.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.8 m -137.6 152.01 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.953 0.406 . . . . 0.32 111.909 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.26 134.74 33.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.196 -1.039 . . . . 0.23 108.196 171.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.489 HG12 ' HA2' ' A' ' 79' ' ' GLY . 20.5 mm -89.07 126.39 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.823 0.82 . . . . 0.17 111.136 -169.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.619 HG22 ' HA ' ' A' ' 75' ' ' SER . 74.2 p -122.16 154.16 37.8 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.359 -1.291 . . . . 0.34 109.518 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -56.0 125.48 21.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.808 -0.442 . . . . 0.64 109.808 171.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.419 ' HD3' ' OP1' ' B' ' 7' ' ' ' DC' . 23.2 tpt180 -59.15 -22.0 60.23 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.749 0.648 . . . . 5.24 112.749 -173.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -90.28 -53.68 4.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.76 0.281 . . . . 1.65 111.76 -175.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.6 p -91.97 -17.56 24.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.963 0.411 . . . . 0.71 111.334 -176.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 64.67 32.02 11.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.499 -0.773 . . . . 1.42 110.748 175.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -100.64 140.97 34.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.027 -0.988 . . . . 2.2 109.713 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.619 ' HA ' HG22 ' A' ' 68' ' ' THR . 33.4 t -59.3 135.2 57.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.286 0.565 . . . . 1.15 111.616 -176.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -97.04 10.03 40.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.246 -0.888 . . . . 2.16 109.564 176.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.809 ' HA3' ' H22' ' B' ' 2' ' ' ' DG' . . . 74.6 23.28 75.68 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 114.965 -1.016 . . . . 0.26 114.224 177.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.515 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 55.3 p90 -156.01 168.42 27.3 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 117.326 0.563 . . . . 0.46 109.55 175.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.489 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -154.14 -175.29 25.21 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.187 -1.006 . . . . 0.14 112.731 -175.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.577 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 53.7 m-85 -130.9 137.63 49.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.614 0.721 . . . . 0.31 110.929 178.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.49 HG21 ' CD1' ' A' ' 55' ' ' PHE . 25.3 t -122.11 122.02 65.48 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 114.569 -1.196 . . . . 0.29 109.013 172.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.9 m -108.37 110.48 22.04 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 107.958 -1.127 . . . . 0.26 107.958 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.583 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.1 mmm -83.17 144.46 29.8 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.714 -0.476 . . . . 0.43 109.714 -176.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -67.22 -17.82 64.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.453 -0.794 . . . . 1.46 110.175 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.75 146.43 39.51 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.83 -0.623 . . . . 1.02 110.946 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.553 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 71.1 ttt180 -62.76 -42.89 99.89 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.419 -0.809 . . . . 2.95 112.602 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.66 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -64.56 -41.04 96.56 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.8 0.333 . . . . 0.27 110.896 -175.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 m -62.99 -40.57 98.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.038 -0.528 . . . . 0.55 109.838 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.615 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -62.85 -41.22 99.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.58 -0.736 . . . . 0.17 111.199 178.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -69.29 -36.76 77.37 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.892 -0.595 . . . . 2.08 111.462 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 54.7 mtt180 -59.54 -41.83 90.98 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.302 -0.629 . . . . 3.23 109.302 177.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.14 -38.8 90.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.101 -0.954 . . . . 0.2 111.374 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 65.9 m -81.3 -10.31 59.59 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 112.355 0.502 . . . . 0.32 112.355 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -73.31 -32.92 64.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.607 0.241 . . . . 2.9 110.756 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -106.78 91.19 5.89 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 108.342 -0.984 . . . . 1.12 108.342 171.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.493 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 53.2 Cg_endo -69.68 -4.03 13.15 Favored 'Trans proline' 0 N--CA 1.467 -0.082 0 C-N-CA 123.055 2.504 . . . . 0.48 113.85 -172.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.531 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 16.2 m120 -127.28 58.64 31.85 Favored Pre-proline 0 CA--C 1.535 0.376 0 N-CA-C 113.15 0.796 . . . . 0.67 113.15 -175.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.467 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 4.3 Cg_exo -74.22 142.79 30.99 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.555 2.17 . . . . 0.48 112.204 177.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.1 mm -81.31 112.13 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 110.057 -0.349 . . . . 0.43 110.057 174.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.6 mt -122.21 120.23 60.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.206 -0.452 . . . . 0.44 110.21 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.2 t70 58.86 39.26 24.12 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 122.04 0.924 . . . . 1.33 110.483 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.0 13.75 80.74 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.202 -0.908 . . . . 0.51 113.272 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.465 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 62.6 ttt180 -134.22 139.88 46.1 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 117.139 0.47 . . . . 1.97 110.901 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.523 ' HD3' ' HB3' ' A' ' 97' ' ' ASN . 24.5 ttmm -74.83 126.9 31.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 1.87 110.172 178.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -108.56 160.11 16.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.585 -0.734 . . . . 0.21 110.678 -177.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.493 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 89.0 m-20 -110.69 114.93 28.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.994 -0.743 . . . . 1.53 108.994 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.3 t -116.44 131.32 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.278 0.473 . . . . 0.38 112.278 -173.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -155.51 157.69 37.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.61 110.225 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.6 mt -55.78 127.71 31.41 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.651 -0.5 . . . . 0.23 109.651 172.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.6 -31.74 72.94 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.623 0.971 . . . . 0.22 113.623 -166.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.481 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 3.3 p90 -68.15 -14.52 63.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.847 0.356 . . . . 0.44 111.501 -175.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 75.4 mt -78.21 -8.2 58.04 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.395 0.517 . . . . 0.44 112.395 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -141.64 11.82 2.69 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 120.138 -1.03 . . . . 0.38 112.997 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.93 125.27 29.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.916 0.358 . . . . 0.58 110.95 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.527 ' HE2' ' OP1' ' B' ' 5' ' ' ' DT' . 0.0 OUTLIER -84.52 134.02 43.3 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.48 -0.327 . . . . 2.02 110.546 175.551 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -83.29 35.61 0.58 Allowed 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.825 2.35 . . . . 2.19 112.369 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.441 ' O ' ' HB ' ' A' ' 118' ' ' THR . 17.1 mmm180 -111.22 67.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.313 0.578 . . . . 6.53 110.682 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 117' ' ' ARG . 11.7 t 169.28 174.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.384 -1.339 . . . . 4.39 107.384 178.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -82.42 91.58 6.87 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.264 0.554 . . . . 6.0 110.236 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.434 HG12 HE21 ' A' ' 121' ' ' GLN . 23.4 t -89.81 91.35 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.733 -0.667 . . . . 5.72 110.33 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.434 HE21 HG12 ' A' ' 120' ' ' VAL . 38.6 mt-30 . . . . . 0 C--O 1.254 1.295 0 CA-C-O 118.381 -0.818 . . . . 7.98 110.769 177.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.543 0 O5'-C5'-C4' 111.56 0.972 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.809 ' H22' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.642 0 C3'-C2'-C1' 100.047 -1.895 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.528 ' C6 ' ' OP1' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.433 -0.437 0 O5'-C5'-C4' 112.665 1.76 . . . . 2.05 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.41 -0.797 0 C4'-C3'-C2' 105.072 1.872 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.577 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-N19 108.556 0.945 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . 0.444 ' N7 ' ' HE3' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.43 -0.63 0 O4'-C4'-C3' 106.122 0.522 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.419 ' OP1' ' HD3' ' A' ' 70' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O4'-C1'-N19 108.318 0.647 . . . . 5.33 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 112.372 -0.291 . . . . 7.06 112.372 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.9 174.48 11.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.604 0.24 . . . . 4.34 110.802 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.5 ptp -81.4 -165.88 1.05 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.302 -0.408 . . . . 6.94 110.92 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.44 146.67 43.57 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 121.211 -0.518 . . . . 3.16 112.534 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.3 m -118.51 168.0 11.08 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.895 0.379 . . . . 4.65 110.543 -177.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.564 ' NE ' ' HA ' ' A' ' 30' ' ' ARG . 1.4 mmp_? -138.12 -164.72 1.67 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.191 0.52 . . . . 5.5 111.214 -178.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' H ' ' HB3' ' A' ' 30' ' ' ARG . 4.4 p-10 -63.9 -9.41 15.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.844 -1.071 . . . . 2.39 111.767 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.665 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 6.9 p -95.75 5.14 52.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.074 -0.512 . . . . 0.76 111.932 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.3 ttt -51.7 -53.71 36.19 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.842 0.682 . . . . 0.91 112.842 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -106.45 1.0 25.22 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.072 0.397 . . . . 0.86 112.072 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.592 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 34.0 p -106.06 -17.25 14.39 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.788 -0.365 . . . . 0.25 111.845 -175.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.665 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 84.7 tttt -93.69 113.58 25.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.484 0.659 . . . . 1.28 110.829 -176.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' A' ' 89' ' ' ALA . 63.5 mt -102.03 134.73 41.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.915 -1.039 . . . . 0.21 110.786 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -99.6 124.11 44.5 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.407 -0.59 . . . . 0.3 109.407 174.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.66 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.4 t -106.77 127.02 62.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.484 -0.562 . . . . 0.25 109.484 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.18 161.28 21.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.295 -0.479 . . . . 0.24 112.51 -175.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.23 13.08 83.68 Favored Glycine 0 C--O 1.229 -0.185 0 C-N-CA 121.087 -0.578 . . . . 0.24 112.707 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.8 mt -76.51 138.07 67.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.534 0.207 . . . . 0.2 111.017 -177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.496 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 9.6 Cg_endo -59.68 142.4 98.7 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.867 1.711 . . . . 0.28 110.269 171.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -58.53 -30.96 67.49 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.419 0.526 . . . . 0.54 112.419 -171.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.441 ' HD2' ' HB2' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -82.65 -3.74 56.72 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.821 0.674 . . . . 2.37 112.821 -176.137 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.2 m -55.08 139.06 42.71 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 117.907 0.321 . . . . 0.35 110.527 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.1 p -111.02 162.48 14.82 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 120.94 0.4 . . . . 0.26 110.794 -177.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.04 -33.58 57.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.445 -0.798 . . . . 0.55 110.269 176.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.627 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 40.2 ttmt -62.11 -44.46 96.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.834 -0.621 . . . . 2.24 110.985 176.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.3 m -61.43 -39.69 91.73 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.214 0.531 . . . . 0.39 110.809 -176.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 48.7 mt -71.28 -39.81 71.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.791 -0.64 . . . . 0.26 109.931 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -55.9 -55.54 31.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.873 -1.058 . . . . 0.7 110.792 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 7.0 mm-40 -60.0 -44.95 94.2 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.931 0.715 . . . . 2.68 112.931 -177.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.05 -52.86 20.63 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.385 -0.526 . . . . 0.85 112.109 -173.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -70.22 -27.75 64.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.508 0.929 . . . . 0.24 113.508 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -68.1 -15.28 63.52 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.378 -0.529 . . . . 1.93 110.881 -177.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -68.95 -10.66 58.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.445 -0.343 . . . . 2.06 111.27 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 72.3 m-85 -91.9 -15.97 27.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.64 -0.255 . . . . 0.3 111.466 177.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.31 -115.31 0.63 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.53 -0.843 . . . . 1.36 112.786 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.44 ' HB2' ' HB3' ' A' ' 84' ' ' LYS . 29.4 m-20 -125.96 132.9 51.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.731 -0.276 . . . . 0.65 110.307 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.456 HG12 ' SD ' ' A' ' 83' ' ' MET . 43.1 mt -105.21 140.24 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.168 0.509 . . . . 0.22 112.349 178.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -77.3 -54.55 6.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.129 -0.941 . . . . 1.59 109.545 170.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -155.44 141.99 18.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.299 -1.319 . . . . 2.3 110.11 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.51 115.3 12.13 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.023 -0.362 . . . . 0.17 110.023 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.15 152.66 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 112.606 0.595 . . . . 0.32 112.606 -174.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.2 t -98.13 135.54 32.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.316 -0.994 . . . . 0.23 108.316 171.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.501 HG12 ' HA2' ' A' ' 79' ' ' GLY . 8.0 mm -83.91 127.7 39.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.679 0.752 . . . . 0.17 112.093 -170.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.602 HG22 ' HA ' ' A' ' 75' ' ' SER . 34.5 p -126.32 147.42 49.73 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 114.487 -1.233 . . . . 0.34 109.29 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.09 132.25 52.35 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.64 110.65 174.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.479 ' CD ' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -63.68 -21.13 66.22 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.266 0.839 . . . . 5.24 113.266 -176.474 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -90.08 -55.98 3.4 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.748 -0.381 . . . . 1.65 111.867 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.7 p -92.54 -18.65 22.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.949 0.351 . . . . 0.71 111.949 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 68.42 30.69 5.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.313 -0.858 . . . . 1.42 111.03 176.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.476 ' HB3' ' O6 ' ' B' ' 1' ' ' ' DG' . 14.6 mmmm -95.95 134.67 38.67 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.211 -0.45 . . . . 2.2 110.008 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.602 ' HA ' HG22 ' A' ' 68' ' ' THR . 38.1 t -59.56 137.27 58.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.244 0.545 . . . . 1.15 111.635 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -96.39 7.98 45.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.52 -0.764 . . . . 2.16 110.746 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.714 ' HA3' ' H22' ' B' ' 2' ' ' ' DG' . . . 74.18 24.62 73.05 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.496 -0.859 . . . . 0.26 113.99 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.66 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 34.7 p90 -158.54 168.47 26.83 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 117.159 0.479 . . . . 0.46 109.942 175.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.501 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -152.8 -175.46 24.32 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.004 -1.093 . . . . 0.14 113.562 -173.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.573 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 52.6 m-85 -132.52 139.87 48.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.421 0.629 . . . . 0.31 111.593 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.9 t -122.0 129.94 74.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 114.703 -1.135 . . . . 0.29 109.747 170.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -105.33 109.6 21.64 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.99 -1.115 . . . . 0.26 107.99 173.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.456 ' SD ' HG12 ' A' ' 61' ' ' ILE . 95.2 mmm -85.4 150.02 25.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.186 0.517 . . . . 0.43 110.919 -177.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.44 ' HB3' ' HB2' ' A' ' 60' ' ' ASP . 20.1 ttmm -72.71 -18.36 61.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.298 -0.864 . . . . 1.46 110.696 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -146.8 150.95 36.31 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.213 0.53 . . . . 1.02 110.595 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.87 -38.97 83.74 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.258 -0.883 . . . . 2.95 112.402 -177.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -63.54 -44.39 94.34 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 121.013 -0.275 . . . . 0.27 110.677 -175.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -63.86 -39.73 94.89 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.579 -0.526 . . . . 0.55 109.579 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.528 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -62.5 -42.05 99.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.588 -0.733 . . . . 0.17 111.091 178.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.06 -37.21 75.44 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 120.599 -0.44 . . . . 2.08 111.209 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 21.0 mtp180 -60.3 -36.98 79.12 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.373 -0.531 . . . . 3.23 109.83 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.478 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -63.17 -41.67 99.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.875 -0.602 . . . . 0.2 111.312 173.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 61.3 m -82.35 -10.73 58.96 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.933 0.345 . . . . 0.32 111.933 -175.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 94' ' ' LYS . 12.1 tptm -74.37 -28.15 60.99 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.97 0.415 . . . . 2.9 110.161 -174.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -112.07 89.95 12.73 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 107.692 -1.225 . . . . 1.12 107.692 168.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.454 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.1 Cg_endo -69.55 3.62 2.57 Favored 'Trans proline' 0 N--CA 1.466 -0.124 0 C-N-CA 123.046 2.497 . . . . 0.48 114.314 -170.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.693 ' HB3' ' HD2' ' A' ' 104' ' ' LYS . 7.5 m120 -131.34 62.92 67.8 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 113.012 0.745 . . . . 0.67 113.012 -176.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.27 147.3 29.19 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.293 1.995 . . . . 0.48 112.325 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 42.1 mm -83.45 116.87 28.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.93 0.395 . . . . 0.43 110.522 172.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.6 mt -125.84 120.61 57.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.949 -0.568 . . . . 0.44 110.194 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.409 ' OD1' ' NE2' ' A' ' 45' ' ' HIS . 36.2 t70 59.58 37.38 22.66 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 122.04 0.924 . . . . 1.33 110.414 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.86 5.08 68.63 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.553 -0.749 . . . . 0.51 112.994 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.496 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 24.9 tpt180 -115.82 143.66 45.1 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.903 0.383 . . . . 1.97 110.395 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.693 ' HD2' ' HB3' ' A' ' 97' ' ' ASN . 16.7 tppt? -77.92 119.51 21.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.126 -0.488 . . . . 1.87 109.896 175.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.496 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.05 158.17 17.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.06 0.457 . . . . 0.21 111.573 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 7.4 m-20 -114.39 115.57 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.476 -0.784 . . . . 1.53 109.061 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.457 HG22 HG13 ' A' ' 39' ' ' VAL . 90.7 t -118.27 132.46 68.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 112.428 0.529 . . . . 0.38 112.428 -176.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -152.08 156.25 39.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.577 -0.738 . . . . 0.61 110.079 174.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.8 mt -55.19 130.29 41.56 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.625 -0.509 . . . . 0.23 109.625 172.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.56 -35.9 77.18 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.097 0.777 . . . . 0.22 113.097 -169.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -69.41 -14.92 63.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.893 0.378 . . . . 0.44 110.889 -174.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.6 mt -75.21 -8.8 57.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.065 -0.516 . . . . 0.44 111.801 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.491 ' HA3' ' O4 ' ' B' ' 5' ' ' ' DT' . . . -137.05 13.86 3.82 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.445 -0.883 . . . . 0.38 111.959 -177.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.59 134.67 36.47 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.981 -0.377 . . . . 0.58 109.981 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -81.65 131.24 58.4 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.514 -0.312 . . . . 2.02 110.98 -175.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -83.62 -179.28 4.09 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.898 2.399 . . . . 2.19 112.493 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 57.81 -75.31 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.563 0.745 . . . . 6.53 112.505 -174.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.5 t -84.17 151.53 24.81 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.905 0.383 . . . . 4.39 110.26 -178.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -133.65 158.65 42.69 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.765 -0.828 . . . . 6.0 108.765 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 43.0 t -73.52 87.71 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.43 0.634 . . . . 5.72 110.304 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 . . . . . 0 C--O 1.245 0.857 0 CA-C-N 115.241 -0.89 . . . . 7.98 110.247 -178.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.476 ' O6 ' ' HB3' ' A' ' 74' ' ' LYS . . . . . . . . 0 O5'--C5' 1.431 -0.567 0 O5'-C5'-C4' 112.423 1.588 . . . . 4.71 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.714 ' H22' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.431 -0.589 0 C3'-C2'-C1' 100.775 -1.375 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.612 0 C3'-C2'-C1' 100.173 -1.805 . . . . 2.05 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.522 " H2'" ' N3 ' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.669 0 C1'-O4'-C4' 106.281 -2.442 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.573 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C3'-C2'-C1' 100.311 -1.707 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . 0.506 ' N7 ' ' HE3' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.43 -0.646 0 C5'-C4'-C3' 115.826 0.75 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.419 " H4'" ' HG3' ' A' ' 70' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O4'-C1'-C2' 107.354 1.14 . . . . 5.33 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.921 0 N-CA-C 111.675 -0.57 . . . . 7.06 111.675 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.89 127.98 34.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.957 0.408 . . . . 4.34 111.252 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.2 mtm -127.67 20.17 6.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.867 -0.606 . . . . 6.94 109.921 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.93 33.28 30.22 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.738 . . . . 3.16 112.117 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.4 m -139.38 144.62 38.26 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.72 -0.474 . . . . 4.65 109.72 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.7 7.3 3.51 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.861 0.319 . . . . 5.5 111.861 -176.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.87 -20.28 64.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.329 0.585 . . . . 2.39 110.42 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.654 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 1.2 p -96.07 9.63 40.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.197 -0.91 . . . . 0.76 111.844 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.1 ttt -52.23 -54.66 28.29 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 112.345 0.498 . . . . 0.91 112.345 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.598 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 64.4 m-85 -106.28 -3.35 21.33 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.807 -0.357 . . . . 0.86 111.654 -178.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.645 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 24.0 p -101.7 -23.07 14.29 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.735 -0.386 . . . . 0.25 111.854 -173.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.654 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 58.5 tttm -90.81 113.5 25.66 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.238 0.542 . . . . 1.28 110.308 -177.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.496 HD11 ' HA ' ' A' ' 89' ' ' ALA . 71.2 mt -101.51 135.12 39.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.441 -0.8 . . . . 0.21 109.96 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -98.37 127.86 44.5 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.264 -0.643 . . . . 0.3 109.264 174.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.43 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.2 t -110.49 128.03 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 N-CA-C 109.323 -0.621 . . . . 0.25 109.323 177.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.21 161.78 21.34 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.93 -0.577 . . . . 0.24 112.055 -175.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.5 25.34 75.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.821 -0.704 . . . . 0.24 112.565 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.5 mt -79.57 138.71 54.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.826 0.346 . . . . 0.2 110.914 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 24.0 Cg_endo -64.46 139.54 65.19 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 121.872 1.715 . . . . 0.28 110.037 173.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -63.01 -16.53 60.14 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.123 0.416 . . . . 0.54 112.123 -172.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -76.54 -22.05 54.88 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 111.879 0.326 . . . . 2.37 111.879 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.499 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 55.1 m -57.58 141.77 46.89 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.212 0.449 . . . . 0.35 112.212 -175.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.8 p -112.88 162.03 16.29 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 120.945 0.403 . . . . 0.26 111.116 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.03 -36.02 62.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.69 -0.686 . . . . 0.55 110.109 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -61.81 -42.42 98.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.529 -0.759 . . . . 2.24 110.481 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.521 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 9.6 m -64.86 -37.85 89.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.992 -0.549 . . . . 0.39 111.415 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 mt -70.36 -43.87 69.29 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.346 -0.613 . . . . 0.26 109.346 177.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -56.04 -56.39 21.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.819 -1.082 . . . . 0.7 110.394 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.521 ' OE2' ' HA ' ' A' ' 50' ' ' THR . 7.7 pt-20 -61.36 -40.12 93.15 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.09 0.774 . . . . 2.68 113.09 -175.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -69.98 -52.21 26.14 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.706 -0.398 . . . . 0.85 111.55 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -72.32 -28.72 63.25 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.552 0.945 . . . . 0.24 113.552 -176.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.476 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 12.7 pt-20 -65.93 -18.49 65.38 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.825 -0.35 . . . . 1.93 111.374 -175.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -68.54 -7.0 28.53 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.187 0.44 . . . . 2.06 112.187 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -91.73 -16.11 27.39 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.96 0.409 . . . . 0.3 110.861 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.5 -109.01 0.3 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.893 -0.67 . . . . 1.36 111.779 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -133.61 148.02 51.53 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.902 -0.407 . . . . 0.65 109.902 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.444 HG12 ' SD ' ' A' ' 83' ' ' MET . 33.0 mt -112.77 141.42 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.129 0.49 . . . . 0.22 111.656 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -79.99 -49.61 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.148 -0.933 . . . . 1.59 109.928 173.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -158.25 137.29 11.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.722 -1.127 . . . . 2.3 109.72 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.73 115.78 12.4 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.121 -0.232 . . . . 0.17 110.398 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.1 m -138.42 150.97 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.952 0.406 . . . . 0.32 112.044 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.76 133.91 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 107.622 -1.251 . . . . 0.23 107.622 170.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.787 HG12 ' HA2' ' A' ' 79' ' ' GLY . 26.0 mm -82.93 125.43 40.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-O 121.722 0.772 . . . . 0.17 111.212 -169.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.422 ' HB ' ' C ' ' A' ' 73' ' ' GLN . 53.9 p -120.0 149.19 42.55 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 114.582 -1.19 . . . . 0.34 108.816 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.27 126.11 23.53 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 110.028 -0.36 . . . . 0.64 110.028 173.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -57.94 -23.34 53.18 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.206 0.447 . . . . 5.24 112.206 -174.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -84.08 -55.21 4.33 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.516 -0.311 . . . . 1.65 111.231 -176.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.5 p -99.69 -14.4 18.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.578 0.584 . . . . 0.71 112.578 -174.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.422 ' C ' ' HB ' ' A' ' 68' ' ' THR . 36.9 mt-30 64.49 30.78 12.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.402 0.62 . . . . 1.42 110.702 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -91.34 134.99 34.13 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.442 -0.799 . . . . 2.2 109.606 175.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.419 ' HA ' HG22 ' A' ' 68' ' ' THR . 4.4 p -59.85 134.87 57.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.331 0.586 . . . . 1.15 111.713 -176.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.9 mtp85 -96.4 13.44 27.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.878 -0.601 . . . . 2.16 110.656 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.659 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 73.87 16.66 79.29 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.526 -0.761 . . . . 0.26 114.463 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 44.3 p90 -151.76 166.82 30.18 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 117.373 0.586 . . . . 0.46 109.622 176.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.787 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -155.35 -178.62 29.77 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.416 -0.897 . . . . 0.14 113.037 -176.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.677 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 51.8 m-85 -134.19 140.3 46.41 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.649 0.738 . . . . 0.31 112.412 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.7 t -127.2 131.85 70.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 114.27 -1.332 . . . . 0.29 109.661 171.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 m -107.77 110.56 22.41 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.584 -1.265 . . . . 0.26 107.584 171.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.477 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 95.3 mmm -84.28 149.46 26.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.92 0.391 . . . . 0.43 110.103 -177.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -76.08 -18.35 59.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.647 -0.706 . . . . 1.46 110.57 -175.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.59 149.02 40.2 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.078 0.466 . . . . 1.02 111.084 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.598 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 14.8 ttm180 -60.9 -43.59 98.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.63 -0.714 . . . . 2.95 112.507 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.637 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -65.02 -40.97 95.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.477 -0.329 . . . . 0.27 110.875 -174.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.7 m -62.49 -43.97 97.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.29 0.567 . . . . 0.55 109.983 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.496 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -63.01 -43.66 98.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.17 -0.923 . . . . 0.17 111.154 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -70.24 -35.34 73.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.035 -0.529 . . . . 2.08 111.604 -176.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 27.7 mmm180 -59.15 -42.92 91.83 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 109.592 -0.522 . . . . 3.23 109.592 175.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.91 -36.57 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.549 -0.751 . . . . 0.2 111.081 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 63.0 m -81.28 -10.11 59.64 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.333 0.494 . . . . 0.32 112.333 -176.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -75.25 -28.69 59.94 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 120.63 -0.428 . . . . 2.9 110.183 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -108.32 85.45 2.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.687 -0.857 . . . . 1.12 108.687 171.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.5 -9.21 25.61 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 123.25 2.633 . . . . 0.48 114.051 -169.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.645 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 14.8 m120 -132.24 65.4 74.96 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 112.593 0.59 . . . . 0.67 112.593 -173.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 3.4 Cg_exo -74.83 147.56 34.89 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.869 2.38 . . . . 0.48 111.7 176.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.9 mm -82.09 111.04 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.929 0.395 . . . . 0.43 110.018 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.2 mt -125.13 120.29 57.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.997 -0.547 . . . . 0.44 110.101 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.2 t0 60.68 34.92 19.92 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 122.087 0.946 . . . . 1.33 110.1 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 82.35 3.44 90.54 Favored Glycine 0 C--N 1.331 0.26 0 CA-C-N 115.077 -0.965 . . . . 0.51 113.495 176.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.422 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 14.7 tpt180 -125.74 137.08 53.8 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.903 0.351 . . . . 1.97 110.676 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.412 ' CG ' ' HB3' ' A' ' 97' ' ' ASN . 22.9 ttmm -74.08 124.66 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.476 -0.564 . . . . 1.87 109.476 173.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.645 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.88 159.42 16.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.159 -0.473 . . . . 0.21 111.076 -173.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -101.95 113.87 27.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.529 -0.915 . . . . 1.53 108.529 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 57.7 t -120.34 128.13 75.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 121.064 0.459 . . . . 0.38 111.99 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -155.18 154.34 32.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.556 -0.747 . . . . 0.61 109.999 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.3 mt -56.95 130.54 46.42 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.741 -0.466 . . . . 0.23 109.741 172.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.69 -29.24 69.2 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.332 0.864 . . . . 0.22 113.332 -167.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -67.21 -18.35 65.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.985 0.421 . . . . 0.44 111.212 -177.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.94 -19.36 65.71 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 113.086 0.772 . . . . 0.44 113.086 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -147.34 14.81 1.46 Allowed Glycine 0 CA--C 1.52 0.372 0 C-N-CA 119.973 -1.108 . . . . 0.38 112.933 -173.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.27 134.4 37.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.878 0.37 . . . . 0.58 111.298 -174.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 0.4 OUTLIER -77.33 128.71 79.76 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.17 -0.468 . . . . 2.02 110.002 177.012 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.16 52.97 2.83 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 123.429 2.753 . . . . 2.19 113.465 -175.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 57.72 89.2 0.05 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.488 -0.778 . . . . 6.53 112.015 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 119' ' ' ASN . 13.0 p -84.24 -80.41 0.2 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.951 -0.568 . . . . 4.39 109.595 173.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 118' ' ' THR . 65.9 t30 174.56 116.37 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.483 0.489 . . . . 6.0 110.175 170.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 25.5 t -76.97 -74.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.949 -0.389 . . . . 5.72 109.949 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 C--O 1.245 0.862 0 O-C-N 124.073 0.858 . . . . 7.98 111.163 176.069 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.588 0 O5'-C5'-C4' 111.508 0.934 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.659 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.595 0 C3'-C2'-C1' 100.353 -1.677 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.525 ' C6 ' ' OP1' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.565 0 P-O5'-C5' 122.924 1.265 . . . . 2.05 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C4'-C3'-C2' 105.156 1.956 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.677 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.43 -0.625 0 O4'-C1'-N19 108.64 1.05 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . 0.453 ' N7 ' ' HE2' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 O5'-C5'-C4' 111.194 0.71 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.493 ' H6 ' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.68 0 O4'-C1'-N19 108.22 0.525 . . . . 5.33 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.899 0 N-CA-C 112.63 -0.188 . . . . 7.06 112.63 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.61 166.36 22.29 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.56 -0.376 . . . . 4.34 110.92 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.2 ttt -142.31 141.84 32.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.227 -0.442 . . . . 6.94 110.47 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.76 -134.26 1.78 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.889 -0.884 . . . . 3.16 110.889 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.4 m -70.98 129.18 38.35 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.868 -0.419 . . . . 4.65 109.868 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.585 ' H ' ' HD2' ' A' ' 30' ' ' ARG . 2.7 mpt_? -74.23 -37.62 63.75 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.371 0.605 . . . . 5.5 110.297 -176.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -71.82 -11.11 60.65 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.058 -0.974 . . . . 2.39 111.455 -170.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.595 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 11.0 p -101.56 -1.68 32.35 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.85 0.315 . . . . 0.76 111.85 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.3 ttt -52.11 -51.49 57.46 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.226 0.454 . . . . 0.91 112.226 -176.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.454 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 94.7 m-85 -102.86 3.34 36.49 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.791 0.293 . . . . 0.86 111.791 -175.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.595 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 17.0 p -112.94 -13.79 13.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.023 0.379 . . . . 0.25 112.023 -175.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HE2' ' O6 ' ' B' ' 6' ' ' ' DG' . 63.2 tttm -89.06 113.01 24.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.968 0.413 . . . . 1.28 110.382 -178.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.515 HD11 ' HA ' ' A' ' 89' ' ' ALA . 60.8 mt -100.05 134.63 38.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.882 -0.599 . . . . 0.21 110.919 -178.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.446 ' HD2' ' CE2' ' A' ' 80' ' ' PHE . 60.8 t80 -101.32 124.6 47.27 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.661 -0.496 . . . . 0.3 109.661 172.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.53 HG13 HG22 ' A' ' 107' ' ' VAL . 7.5 t -109.0 126.84 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 109.348 -0.612 . . . . 0.25 109.348 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.29 158.98 21.28 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 116.113 -0.494 . . . . 0.24 112.414 -172.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.66 20.61 79.82 Favored Glycine 0 C--O 1.229 -0.176 0 C-N-CA 121.051 -0.595 . . . . 0.24 112.611 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.4 mt -74.9 133.19 76.24 Favored Pre-proline 0 C--N 1.323 -0.546 0 C-N-CA 122.293 0.237 . . . . 0.2 111.381 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 10.0 Cg_endo -56.82 139.01 88.0 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.946 1.764 . . . . 0.28 110.691 172.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -60.41 -28.24 68.1 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.798 0.666 . . . . 0.54 112.798 -169.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -83.85 -3.24 57.74 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.482 0.919 . . . . 2.37 113.482 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.457 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 35.7 m -59.46 140.92 55.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.275 0.489 . . . . 0.35 111.383 173.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.5 p -111.7 163.94 13.58 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-O 121.119 0.485 . . . . 0.26 110.943 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -53.47 -35.9 61.06 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.515 -0.766 . . . . 0.55 110.627 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -61.75 -42.4 98.92 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.851 -0.613 . . . . 2.24 110.938 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.6 m -65.68 -37.65 87.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.699 0.285 . . . . 0.39 110.961 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.75 -46.71 68.11 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.224 -0.591 . . . . 0.26 109.659 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -55.8 -55.96 26.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.376 -0.829 . . . . 0.7 111.221 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.699 ' HG3' ' N ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -62.22 -40.37 95.88 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.499 0.555 . . . . 2.68 112.499 -174.396 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.699 ' N ' ' HG3' ' A' ' 53' ' ' GLU . 25.0 t80 -70.44 -52.61 20.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.965 0.412 . . . . 0.85 110.915 -175.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.48 ' HB2' HD11 ' A' ' 61' ' ' ILE . 64.8 m-85 -71.8 -27.03 62.66 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.818 0.673 . . . . 0.24 112.818 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.43 -15.32 63.26 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.378 -0.529 . . . . 1.93 110.954 -176.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -67.29 -10.56 51.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.689 0.28 . . . . 2.06 111.061 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.432 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 40.5 m-85 -91.73 -19.36 22.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.458 -0.337 . . . . 0.3 110.87 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.87 -111.79 0.48 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.326 -0.94 . . . . 1.36 112.947 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -125.35 124.3 41.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.802 0.335 . . . . 0.65 111.321 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.48 HD11 ' HB2' ' A' ' 55' ' ' PHE . 34.8 mt -95.91 133.15 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.604 0.716 . . . . 0.22 111.231 173.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -82.37 -43.21 17.68 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.704 -1.135 . . . . 1.59 109.243 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -160.1 136.15 8.62 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.61 -0.723 . . . . 2.3 109.881 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.44 116.78 12.73 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.11 -0.368 . . . . 0.17 110.887 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.1 m -138.22 149.15 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 112.628 0.603 . . . . 0.32 112.628 -178.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.8 t -91.03 134.62 29.11 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.136 0 N-CA-C 108.5 -0.926 . . . . 0.23 108.5 169.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.772 HG12 ' HA2' ' A' ' 79' ' ' GLY . 41.2 mm -90.2 124.13 42.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.661 0.743 . . . . 0.17 111.338 -169.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.699 HG22 ' HA ' ' A' ' 75' ' ' SER . 48.4 p -124.99 154.41 41.28 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 114.862 -1.063 . . . . 0.34 108.665 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -57.42 134.03 55.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.064 0.459 . . . . 0.64 111.579 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -58.34 -26.62 63.32 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.813 -0.631 . . . . 5.24 112.549 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -96.28 -53.39 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.016 0.376 . . . . 1.65 112.016 -175.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.5 p -92.12 -21.18 20.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.158 0.504 . . . . 0.71 111.769 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.459 ' C ' ' HB ' ' A' ' 68' ' ' THR . 84.7 mt-30 68.24 21.77 8.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.974 -1.012 . . . . 1.42 110.467 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -75.04 129.83 38.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.689 -0.856 . . . . 2.2 108.689 175.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.699 ' HA ' HG22 ' A' ' 68' ' ' THR . 8.7 m -56.9 126.18 25.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.117 0.484 . . . . 1.15 110.364 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -86.59 10.68 14.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.332 0.587 . . . . 2.16 110.657 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.16 18.3 79.44 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.438 -0.801 . . . . 0.26 114.191 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.516 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 49.0 p90 -155.22 167.29 30.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 117.331 0.566 . . . . 0.46 110.294 177.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.772 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -150.11 -178.12 24.73 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.882 -0.675 . . . . 0.14 111.913 -177.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.581 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 51.2 m-85 -133.11 138.3 46.62 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.9 0.857 . . . . 0.31 112.084 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.443 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 24.6 t -125.42 121.48 60.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 114.23 -1.35 . . . . 0.29 109.142 174.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.4 m -107.04 110.87 23.1 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.451 -0.944 . . . . 0.26 108.451 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.637 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.8 mmm -84.55 141.0 31.02 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.233 0.539 . . . . 0.43 110.317 -177.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -68.02 -17.29 64.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.017 -0.992 . . . . 1.46 110.509 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.05 147.66 38.97 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.997 -0.547 . . . . 1.02 109.975 -178.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.454 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 48.4 ttt180 -67.16 -41.58 85.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.625 -0.261 . . . . 2.95 111.703 -176.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.664 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -64.01 -40.7 96.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.753 0.311 . . . . 0.27 110.312 -173.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.6 m -61.88 -43.79 98.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.704 -0.68 . . . . 0.55 109.707 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.637 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.35 -44.0 97.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.443 -0.799 . . . . 0.17 111.218 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -71.43 -33.63 69.58 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.785 -0.643 . . . . 2.08 111.585 -175.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.664 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 30.8 mmt180 -57.95 -43.85 86.65 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.441 -0.577 . . . . 3.23 109.441 173.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -61.38 -37.39 83.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.482 -0.781 . . . . 0.2 111.257 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 66.9 m -80.94 -10.24 59.74 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.143 0.423 . . . . 0.32 112.143 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -65.51 -34.64 78.75 Favored 'General case' 0 C--O 1.232 0.16 0 O-C-N 122.22 -0.3 . . . . 2.9 110.61 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -110.07 92.78 13.69 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 108.72 -0.844 . . . . 1.12 108.72 171.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.439 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.1 Cg_endo -69.85 -2.65 10.61 Favored 'Trans proline' 0 CA--C 1.521 -0.139 0 C-N-CA 122.742 2.295 . . . . 0.48 113.419 -174.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.679 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 8.9 m120 -130.88 60.0 50.06 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 112.395 0.516 . . . . 0.67 112.395 -177.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 97' ' ' ASN . 2.9 Cg_exo -73.78 147.53 39.81 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.456 2.104 . . . . 0.48 111.796 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.1 mm -82.17 110.13 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.486 -0.561 . . . . 0.43 109.486 174.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.2 mt -123.32 123.78 68.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.854 -0.612 . . . . 0.44 110.029 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.4 t0 59.23 36.75 23.84 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.886 0.85 . . . . 1.33 109.996 176.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 76.16 11.53 84.82 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.138 -0.937 . . . . 0.51 113.928 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -134.97 141.44 46.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.029 0.415 . . . . 1.97 111.613 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.549 ' HE3' ' HB3' ' A' ' 97' ' ' ASN . 2.7 ttmp? -70.42 124.41 24.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 1.87 110.072 174.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.679 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -108.23 159.9 16.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.87 -0.605 . . . . 0.21 110.645 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 4.7 m-20 -111.12 115.18 28.97 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.375 -0.602 . . . . 1.53 109.375 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.53 HG22 HG13 ' A' ' 39' ' ' VAL . 98.0 t -120.54 136.47 57.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 112.265 0.469 . . . . 0.38 112.265 -175.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -153.34 155.55 36.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.583 -0.735 . . . . 0.61 109.574 173.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.4 mt -55.77 127.54 30.6 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.897 0.38 . . . . 0.23 109.989 173.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.16 71.08 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.551 0.945 . . . . 0.22 113.551 -167.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -69.2 -16.93 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.991 0.424 . . . . 0.44 111.134 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.6 mt -79.88 -6.59 57.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.44 111.633 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.572 ' HA3' ' O4 ' ' B' ' 5' ' ' ' DT' . . . -136.86 13.93 3.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.211 -0.995 . . . . 0.38 112.422 -176.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.26 143.11 45.21 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.809 -0.23 . . . . 0.58 110.434 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -63.6 127.79 91.85 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.71 0.291 . . . . 2.02 111.407 -176.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.12 14.17 1.82 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.96 2.44 . . . . 2.19 111.653 174.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.45 ' HD2' ' HA ' ' A' ' 117' ' ' ARG . 22.9 tpt180 -150.31 96.9 2.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.968 -1.015 . . . . 6.53 108.643 176.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -136.47 178.38 7.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.042 -0.526 . . . . 4.39 111.141 -175.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.407 ' O ' ' HB ' ' A' ' 120' ' ' VAL . 4.8 t30 -74.7 -31.88 62.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.785 -0.643 . . . . 6.0 109.827 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 119' ' ' ASN . 61.3 t 72.99 144.15 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.345 -0.843 . . . . 5.72 110.032 -173.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 117.818 -1.087 . . . . 7.98 111.129 -177.19 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 O5'-C5'-C4' 111.35 0.822 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.555 0 C3'-C2'-C1' 101.706 -0.71 . . . . 2.8 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.607 0 C3'-C2'-C1' 99.852 -2.034 . . . . 2.05 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.465 " C2'" ' H72' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C1'-O4'-C4' 105.233 -3.191 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.581 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.43 -0.614 0 C3'-C2'-C1' 100.977 -1.231 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . 0.504 ' O6 ' ' HE2' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.43 -0.632 0 C5'-C4'-C3' 115.899 0.8 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C4'-C3'-C2' 104.038 0.838 . . . . 5.33 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.793 -0.523 . . . . 7.06 111.793 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -152.26 162.24 41.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.783 0.325 . . . . 4.34 110.41 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.4 ptp -161.76 178.06 9.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.904 -0.589 . . . . 6.94 109.465 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 150.19 -162.17 29.14 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.534 -0.841 . . . . 3.16 111.988 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 m -83.89 59.01 4.99 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.913 0.387 . . . . 4.65 110.273 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.465 ' HB2' ' HG3' ' A' ' 33' ' ' MET . 20.4 mmt180 -99.9 111.04 23.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.085 0.469 . . . . 5.5 111.258 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.84 -17.06 60.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.198 -0.91 . . . . 2.39 111.173 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.629 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 0.8 OUTLIER -96.54 3.31 52.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.69 -0.686 . . . . 0.76 112.767 -176.601 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.465 ' HG3' ' HB2' ' A' ' 30' ' ' ARG . 50.0 mtp -53.37 -52.27 59.81 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.211 0.819 . . . . 0.91 113.211 -177.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.459 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 77.0 m-85 -106.74 -1.36 22.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.536 0.607 . . . . 0.86 111.301 -177.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.629 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 32.5 p -102.98 -25.5 13.43 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.138 0.421 . . . . 0.25 112.138 -175.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.563 ' HE2' ' O6 ' ' B' ' 6' ' ' ' DG' . 62.0 tttm -85.94 113.43 22.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.968 0.413 . . . . 1.28 110.421 -176.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' A' ' 89' ' ' ALA . 63.0 mt -101.5 134.94 40.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.844 -0.616 . . . . 0.21 111.332 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.402 ' HD2' ' CZ ' ' A' ' 80' ' ' PHE . 74.9 t80 -101.04 127.78 47.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.987 -0.552 . . . . 0.3 109.563 174.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.471 ' O ' ' HB2' ' A' ' 78' ' ' TYR . 4.6 t -114.67 130.51 68.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 110.169 -0.308 . . . . 0.25 110.169 178.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.31 163.05 21.24 Favored Glycine 0 C--O 1.227 -0.327 0 CA-C-N 116.005 -0.543 . . . . 0.24 111.945 -174.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.65 10.37 84.78 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.805 -0.712 . . . . 0.24 112.597 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.8 mt -69.75 132.62 88.83 Favored Pre-proline 0 C--N 1.327 -0.401 0 C-N-CA 122.749 0.42 . . . . 0.2 111.563 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.635 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 10.7 Cg_endo -57.07 139.88 91.16 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.215 1.943 . . . . 0.28 110.213 173.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -62.31 -30.66 71.31 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.288 0.477 . . . . 0.54 112.288 -170.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -77.72 -6.38 53.77 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.433 0.531 . . . . 2.37 112.433 -177.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.426 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 24.6 m -55.8 141.68 37.7 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.704 0.288 . . . . 0.35 111.057 177.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.0 p -111.09 161.34 16.02 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.189 0.519 . . . . 0.26 110.717 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 64' ' ' ALA . 3.1 m-20 -53.51 -33.82 55.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.378 -0.828 . . . . 0.55 110.204 178.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.582 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 27.4 ttpp -61.98 -43.7 98.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.438 -0.801 . . . . 2.24 110.894 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -63.35 -39.04 93.44 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.96 0.409 . . . . 0.39 110.923 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.2 mt -70.45 -43.91 68.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.245 -0.434 . . . . 0.26 110.276 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.421 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 47.7 t-80 -54.3 -55.96 23.16 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.315 -0.857 . . . . 0.7 110.851 176.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 35.3 mm-40 -60.54 -44.29 96.25 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.418 0.525 . . . . 2.68 112.418 -174.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -65.15 -52.64 53.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.934 0.397 . . . . 0.85 111.394 -172.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.598 ' HB2' HD11 ' A' ' 61' ' ' ILE . 84.9 m-85 -72.52 -24.21 61.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.972 -0.558 . . . . 0.24 112.125 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HG2' HD12 ' A' ' 61' ' ' ILE . 4.2 mm-40 -60.02 -26.58 66.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.203 0.525 . . . . 1.93 111.284 -177.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -72.47 -9.94 59.17 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.189 -0.46 . . . . 2.06 111.617 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.403 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 44.8 m-85 -92.0 -23.48 19.52 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.157 0.503 . . . . 0.3 109.998 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 158.14 -170.91 35.0 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.693 -0.685 . . . . 1.36 111.77 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.498 ' HB3' ' HE3' ' A' ' 84' ' ' LYS . 7.0 m-20 -68.36 128.06 35.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.043 0.449 . . . . 0.65 111.761 -176.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.598 HD11 ' HB2' ' A' ' 55' ' ' PHE . 47.9 mt -98.41 134.96 35.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 115.773 -0.649 . . . . 0.22 110.326 170.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -83.83 -43.93 14.87 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.411 -0.588 . . . . 1.59 109.411 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -151.12 137.4 18.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.584 -0.735 . . . . 2.3 109.872 178.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.482 ' HB2' HG21 ' A' ' 61' ' ' ILE . . . -135.66 115.06 12.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.646 -0.501 . . . . 0.17 109.646 177.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.406 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 17.6 m -138.17 148.16 25.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.027 0.442 . . . . 0.32 112.131 -175.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.5 t -90.45 133.95 30.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 108.24 -1.022 . . . . 0.23 108.24 169.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.903 HG12 ' HA2' ' A' ' 79' ' ' GLY . 39.4 mm -86.01 124.05 39.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.578 0.704 . . . . 0.17 111.042 -169.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.536 HG22 ' HA ' ' A' ' 75' ' ' SER . 20.2 p -122.06 144.94 48.61 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.948 -1.024 . . . . 0.34 109.005 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.49 135.71 56.63 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.902 0.382 . . . . 0.64 111.336 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -60.29 -29.37 68.78 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 112.993 0.738 . . . . 5.24 112.993 -175.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -94.23 -22.6 18.31 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.808 -0.558 . . . . 1.65 112.393 -172.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.5 p -124.17 -23.64 4.5 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.545 0.688 . . . . 0.71 111.133 -170.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 68.43 25.13 6.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 113.818 -1.537 . . . . 1.42 110.01 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 68' ' ' THR . 46.9 mmtm -86.04 150.41 24.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.616 -0.72 . . . . 2.2 109.672 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.536 ' HA ' HG22 ' A' ' 68' ' ' THR . 19.8 m -78.6 121.8 25.11 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.849 -0.426 . . . . 1.15 109.849 -170.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.671 ' HD3' HG22 ' A' ' 67' ' ' ILE . 45.1 mtp85 -86.68 12.06 11.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.871 0.322 . . . . 2.16 111.871 -172.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.71 13.37 83.09 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.95 -0.643 . . . . 0.26 114.592 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 42.5 p90 -154.88 168.26 27.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 117.171 0.486 . . . . 0.46 110.135 177.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.903 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -152.12 -178.76 27.14 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.722 -0.751 . . . . 0.14 112.197 -176.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.612 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 54.3 m-85 -133.72 139.83 46.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.905 0.86 . . . . 0.31 112.067 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.491 HG21 ' CD1' ' A' ' 55' ' ' PHE . 23.5 t -123.61 122.1 64.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 113.868 -1.515 . . . . 0.29 109.068 172.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.2 m -105.36 110.64 23.07 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 107.951 -1.129 . . . . 0.26 107.951 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.646 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 91.2 mmm -83.93 143.02 30.12 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.262 0.553 . . . . 0.43 110.517 -175.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.498 ' HE3' ' HB3' ' A' ' 60' ' ' ASP . 26.8 ttmt -69.98 -18.42 63.34 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.839 -1.073 . . . . 1.46 110.159 -178.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -141.55 148.38 39.24 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.148 0.499 . . . . 1.02 111.552 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.459 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 74.3 ttt180 -60.98 -43.12 99.27 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.334 -0.848 . . . . 2.95 112.914 -178.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -66.69 -41.78 87.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.875 0.369 . . . . 0.27 110.926 -173.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.9 m -62.86 -41.33 99.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.058 -0.519 . . . . 0.55 110.1 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.646 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.83 -41.59 99.39 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.405 -0.816 . . . . 0.17 111.057 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.08 -39.79 78.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.052 -0.522 . . . . 2.08 110.935 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 31.0 mmm180 -58.53 -41.84 86.43 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.064 0.459 . . . . 3.23 109.952 178.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.403 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -60.09 -40.97 91.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.358 -0.837 . . . . 0.2 111.551 176.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 62.3 m -82.19 -10.17 59.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.751 0.649 . . . . 0.32 112.751 -175.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -64.94 -39.22 93.17 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 122.236 -0.29 . . . . 2.9 110.618 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -107.84 98.14 23.92 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 108.416 -0.957 . . . . 1.12 108.416 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.41 -5.48 16.1 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 123.306 2.671 . . . . 0.48 114.614 -169.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.579 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 9.3 m120 -134.95 66.37 68.04 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 112.409 0.522 . . . . 0.67 112.409 -175.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.0 145.08 35.13 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.956 1.771 . . . . 0.48 111.414 174.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.8 mm -85.39 111.74 21.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.895 -0.409 . . . . 0.43 109.895 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.3 mt -120.0 121.02 64.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.784 -0.643 . . . . 0.44 109.865 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.5 t70 59.66 34.76 22.25 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.884 0.85 . . . . 1.33 109.979 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.38 5.93 78.86 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.474 -0.785 . . . . 0.51 112.711 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.635 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 30.7 tpt180 -114.93 139.99 49.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.834 0.349 . . . . 1.97 111.031 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -74.83 120.13 19.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.616 -0.513 . . . . 1.87 109.616 173.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.579 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.57 157.84 17.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.649 0.262 . . . . 0.21 110.64 177.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -105.35 114.2 28.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.959 -0.756 . . . . 1.53 108.959 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.421 HG22 HG13 ' A' ' 39' ' ' VAL . 47.8 t -118.03 128.15 75.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.935 0.398 . . . . 0.38 111.86 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -157.18 156.43 32.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.56 -0.745 . . . . 0.61 109.898 175.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.1 mt -55.95 127.41 30.24 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.778 -0.453 . . . . 0.23 109.778 173.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.92 -28.2 69.37 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.264 0.839 . . . . 0.22 113.264 -167.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -14.93 63.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.783 0.325 . . . . 0.44 111.304 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.41 -7.94 52.37 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.474 0.546 . . . . 0.44 112.474 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.14 14.68 1.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.23 -0.986 . . . . 0.38 112.562 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.04 131.46 37.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.946 0.403 . . . . 0.58 111.404 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -79.25 135.39 57.85 Favored Pre-proline 0 C--O 1.235 0.339 0 CA-C-N 115.958 -0.565 . . . . 2.02 110.812 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.74 39.52 0.64 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.333 2.688 . . . . 2.19 113.235 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 117' ' ' ARG . 9.2 tpt180 -98.18 -12.19 21.96 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.434 -0.95 . . . . 6.53 108.434 175.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.6 m 70.77 100.98 0.06 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 114.698 -1.137 . . . . 4.39 110.532 -176.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.507 ' HA ' ' H5 ' ' B' ' 7' ' ' ' DC' . 25.8 p-10 -85.05 170.06 13.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.625 -0.509 . . . . 6.0 109.625 178.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' A' ' 119' ' ' ASN . 82.8 t 72.95 114.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.213 0 O-C-N 123.904 0.753 . . . . 5.72 109.569 -170.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.422 ' HB3' ' C2 ' ' B' ' 7' ' ' ' DC' . 18.9 pt20 . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.725 -0.655 . . . . 7.98 111.166 -174.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.623 0 O5'-C5'-C4' 111.372 0.837 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.432 " H4'" " H5'" ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.62 0 C3'-C2'-C1' 101.033 -1.19 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.726 " H1'" " O4'" ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-N19 108.482 0.852 . . . . 2.05 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.726 " O4'" " H1'" ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 P-O3'-C3' 121.201 1.251 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.612 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 C3'-C2'-C1' 101.084 -1.154 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . 0.563 ' O6 ' ' HE2' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 O4'-C1'-N19 107.087 -0.891 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.507 ' H5 ' ' HA ' ' A' ' 119' ' ' ASN . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 105.355 1.897 . . . . 5.33 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.801 0 N-CA-C 112.071 -0.412 . . . . 7.06 112.071 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.461 ' HB2' HG23 ' A' ' 118' ' ' THR . . . 66.57 78.39 0.26 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.334 0.588 . . . . 4.34 110.68 -178.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 55.6 mtt -106.85 -51.44 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.679 -0.692 . . . . 6.94 110.6 -176.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.22 -116.15 8.95 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.766 -0.73 . . . . 3.16 111.732 -177.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.548 ' HA ' ' SD ' ' A' ' 33' ' ' MET . 48.7 m 58.61 33.86 23.41 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.094 0.473 . . . . 4.65 111.624 176.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.443 ' H ' ' HD2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -85.29 -169.36 2.61 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.032 -0.531 . . . . 5.5 111.7 177.017 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -59.59 -18.45 41.28 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.36 0.874 . . . . 2.39 113.36 -168.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.686 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 25.8 p -96.0 10.37 37.64 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 112.259 0.466 . . . . 0.76 112.259 -171.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.548 ' SD ' ' HA ' ' A' ' 29' ' ' SER . 17.6 mtp -54.53 -51.85 63.86 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.889 0.7 . . . . 0.91 112.889 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.95 -3.57 21.59 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 118.12 0.418 . . . . 0.86 111.363 -174.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.464 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 13.9 p -106.01 -19.62 13.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.578 -0.283 . . . . 0.25 111.642 -174.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.686 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 60.0 tttm -90.88 113.17 25.29 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 121.372 0.606 . . . . 1.28 109.974 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.55 HD11 ' HA ' ' A' ' 89' ' ' ALA . 61.3 mt -98.08 131.52 44.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.39 -0.823 . . . . 0.21 110.1 -178.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.422 ' HD2' ' CE2' ' A' ' 80' ' ' PHE . 59.5 t80 -101.97 122.27 43.74 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.259 -0.645 . . . . 0.3 109.259 173.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.629 HG13 HG22 ' A' ' 107' ' ' VAL . 4.3 t -106.33 130.33 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 109.14 -0.689 . . . . 0.25 109.14 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.45 148.02 17.0 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 121.004 -0.617 . . . . 0.24 111.991 -173.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.1 16.28 76.98 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.844 -0.693 . . . . 0.24 112.216 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.416 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 70.3 mt -66.49 129.8 94.14 Favored Pre-proline 0 CA--C 1.513 -0.472 0 CA-C-O 120.787 0.327 . . . . 0.2 110.929 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.518 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 18.5 Cg_endo -59.07 138.91 88.18 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 122.063 1.842 . . . . 0.28 109.784 174.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -58.88 -20.88 55.29 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.694 0.627 . . . . 0.54 112.694 -171.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 21.9 p80 -77.86 -15.26 59.18 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.801 0.667 . . . . 2.37 112.801 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.572 ' HA ' ' OD2' ' A' ' 101' ' ' ASP . 98.6 m -55.09 138.85 43.32 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.156 0.428 . . . . 0.35 112.156 177.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.1 p -117.18 165.78 13.02 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-O 121.113 0.482 . . . . 0.26 110.938 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.507 ' OD1' ' HA ' ' A' ' 65' ' ' VAL . 5.9 m-20 -53.28 -35.26 59.89 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.739 -0.664 . . . . 0.55 110.716 176.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.653 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 38.1 ttpt -66.67 -36.68 83.11 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.804 -0.635 . . . . 2.24 110.546 179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.448 HG21 ' OD2' ' A' ' 101' ' ' ASP . 23.0 m -62.05 -40.7 96.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.084 0.468 . . . . 0.39 110.248 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.3 mt -70.26 -40.38 74.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.948 -0.569 . . . . 0.26 109.864 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.549 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 51.2 t-80 -56.63 -57.32 12.91 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.355 -0.839 . . . . 0.7 111.117 176.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 15.9 mm-40 -60.26 -46.27 90.41 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.337 0.495 . . . . 2.68 112.337 -176.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.532 ' HA ' HE21 ' A' ' 57' ' ' GLN . 83.7 t80 -70.59 -54.72 10.93 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.308 -0.557 . . . . 0.85 111.677 -172.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.528 ' HB2' HD11 ' A' ' 61' ' ' ILE . 65.4 m-85 -71.33 -28.27 63.97 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.59 0.959 . . . . 0.24 113.59 -174.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 52' ' ' HIS . 10.1 pt-20 -72.57 -12.56 61.11 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 119.471 -0.891 . . . . 1.93 111.189 -175.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.532 HE21 ' HA ' ' A' ' 54' ' ' TYR . 48.3 mt-30 -67.7 -8.06 32.13 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 120.774 0.321 . . . . 2.06 110.933 176.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 45.3 m-85 -93.43 -16.68 24.31 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.952 0.406 . . . . 0.3 111.028 177.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.96 -109.99 0.38 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.875 -0.679 . . . . 1.36 112.35 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -126.24 132.71 51.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.616 0.246 . . . . 0.65 111.249 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.528 HD11 ' HB2' ' A' ' 55' ' ' PHE . 37.4 mt -103.39 135.05 42.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.806 0.336 . . . . 0.22 110.656 171.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -86.05 -38.36 17.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.756 -0.656 . . . . 1.59 110.584 172.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -155.46 134.59 12.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.803 -0.635 . . . . 2.3 109.783 -174.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.41 116.43 13.31 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.247 -0.279 . . . . 0.17 110.247 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.507 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 25.4 m -136.31 141.93 39.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.863 0.363 . . . . 0.32 111.525 -175.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.5 t -96.28 134.26 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.875 -1.157 . . . . 0.23 107.875 169.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.95 HG12 ' HA2' ' A' ' 79' ' ' GLY . 31.0 mm -86.39 124.37 40.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.724 0.773 . . . . 0.17 111.156 -169.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.585 HG22 ' HA ' ' A' ' 75' ' ' SER . 41.4 p -120.92 146.21 46.87 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.622 -1.172 . . . . 0.34 108.633 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -56.66 130.89 47.26 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.711 -0.396 . . . . 0.64 111.112 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.489 ' HG2' " H2'" ' B' ' 7' ' ' ' DC' . 0.0 OUTLIER -64.22 -16.24 61.59 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 114.286 1.217 . . . . 5.24 114.286 -174.227 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -92.12 -52.07 4.88 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.579 0.627 . . . . 1.65 111.625 178.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.0 p -90.22 -21.12 22.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.35 -0.387 . . . . 0.71 112.027 -174.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 66.55 30.76 8.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.297 -0.865 . . . . 1.42 110.144 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -104.42 141.19 36.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.721 -0.672 . . . . 2.2 109.54 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.585 ' HA ' HG22 ' A' ' 68' ' ' THR . 3.4 p -60.44 133.97 56.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.205 0.526 . . . . 1.15 112.018 -174.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -94.66 13.28 24.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.588 -0.733 . . . . 2.16 111.571 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.473 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 74.02 14.01 80.59 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 115.753 -0.658 . . . . 0.26 114.368 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -151.31 168.26 25.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 117.52 0.66 . . . . 0.46 110.34 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.95 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -160.05 -176.89 32.63 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.712 -0.756 . . . . 0.14 113.01 -176.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.655 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 50.0 m-85 -135.9 139.37 43.27 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.753 0.787 . . . . 0.31 112.208 -176.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 64.6 t -124.28 133.37 69.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.387 -1.279 . . . . 0.29 109.823 171.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.3 m -107.63 107.78 18.75 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 107.865 -1.161 . . . . 0.26 107.865 171.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.586 ' SD ' ' HA ' ' A' ' 89' ' ' ALA . 18.7 mtp -88.17 149.53 23.83 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.294 -0.562 . . . . 0.43 109.85 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -71.75 -17.54 62.19 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.299 -0.864 . . . . 1.46 111.24 -173.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -143.46 149.74 38.01 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.1 0.476 . . . . 1.02 110.605 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -60.51 -41.58 94.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.484 -0.78 . . . . 2.95 111.788 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.673 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -63.46 -41.54 98.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.758 0.313 . . . . 0.27 110.967 -175.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 m -63.88 -44.32 93.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.97 0.414 . . . . 0.55 109.915 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.586 ' HA ' ' SD ' ' A' ' 83' ' ' MET . . . -63.58 -42.66 98.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.521 -0.763 . . . . 0.17 111.015 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -69.45 -39.12 77.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.817 -0.629 . . . . 2.08 111.602 -175.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.673 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 21.6 mmm180 -64.48 -37.66 88.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.47 -0.492 . . . . 3.23 109.679 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -62.87 -39.45 94.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.79 -0.641 . . . . 0.2 110.886 175.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 67.9 m -83.09 -9.63 59.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.32 112.009 -177.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 94' ' ' LYS . 21.4 tptp -64.67 -31.37 72.56 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 121.109 -0.236 . . . . 2.9 111.442 -172.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -113.32 103.36 55.52 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 107.683 -1.228 . . . . 1.12 107.683 170.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.477 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 54.1 Cg_endo -68.9 7.25 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.865 2.377 . . . . 0.48 114.02 -171.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.754 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 9.6 m120 -132.79 60.24 48.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 112.763 0.653 . . . . 0.67 112.763 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.13 149.28 35.96 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.375 2.05 . . . . 0.48 112.342 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 50.2 mm -81.68 111.62 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.442 -0.344 . . . . 0.43 110.42 174.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.4 mt -125.51 121.46 60.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.377 -0.374 . . . . 0.44 110.218 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.572 ' OD2' ' HA ' ' A' ' 46' ' ' THR . 0.2 OUTLIER 58.54 40.84 23.36 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.804 -0.635 . . . . 1.33 111.202 179.285 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.88 13.58 80.65 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 115.669 -0.696 . . . . 0.51 113.81 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -133.45 133.94 42.92 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 122.513 -0.404 . . . . 1.97 110.563 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -73.1 123.48 23.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.309 -0.626 . . . . 1.87 109.309 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.754 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -108.6 161.28 15.22 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.828 -0.624 . . . . 0.21 111.148 -173.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 5.5 m-20 -106.05 113.48 27.04 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.752 -0.833 . . . . 1.53 108.752 176.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.629 HG22 HG13 ' A' ' 39' ' ' VAL . 43.8 t -125.41 142.37 42.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.183 0.516 . . . . 0.38 112.375 -173.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.449 HD22 ' C ' ' A' ' 108' ' ' ASN . 0.3 OUTLIER -157.55 158.15 35.11 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.376 -0.829 . . . . 0.61 109.785 173.341 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.15 127.31 28.59 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 109.485 -0.561 . . . . 0.23 109.485 173.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.77 -31.01 66.11 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.873 1.064 . . . . 0.22 113.873 -167.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -68.27 -18.82 64.63 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.858 -0.337 . . . . 0.44 111.643 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.1 mt -73.98 -8.16 55.09 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.702 0.63 . . . . 0.44 112.702 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -150.95 13.38 0.85 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.452 -0.88 . . . . 0.38 111.95 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.17 131.88 45.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.007 0.432 . . . . 0.58 111.304 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -80.29 148.47 67.07 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.745 -0.661 . . . . 2.02 110.394 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.96 123.71 13.79 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.689 2.259 . . . . 2.19 112.169 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -119.15 81.4 1.7 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.848 -0.615 . . . . 6.53 109.969 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.461 HG23 ' HB2' ' A' ' 26' ' ' ALA . 1.9 p -87.44 97.57 10.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.634 -0.712 . . . . 4.39 110.754 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 67.91 95.69 0.06 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.535 0.683 . . . . 6.0 111.185 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 59.3 t -82.88 106.59 13.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.526 -0.761 . . . . 5.72 110.367 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 C--O 1.252 1.186 0 CA-C-N 115.768 -0.651 . . . . 7.98 110.381 177.912 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O5'-C5'-C4' 111.387 0.848 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.473 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.645 0 P-O3'-C3' 120.947 1.039 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.709 0 C3'-C2'-C1' 101.043 -1.184 . . . . 2.05 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 C4'-C3'-C2' 105.029 1.829 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.655 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 C3'-C2'-C1' 100.942 -1.255 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . 0.479 ' N7 ' ' HE2' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.43 -0.613 0 C5'-C4'-C3' 115.912 0.808 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.489 " H2'" ' HG2' ' A' ' 70' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-C2' 106.793 0.63 . . . . 5.33 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.524 -0.63 . . . . 7.06 111.524 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.49 -41.28 72.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 117.142 0.471 . . . . 4.34 111.481 -178.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.743 ' HG2' ' H ' ' A' ' 28' ' ' GLY . 36.0 ttm -145.42 -163.19 1.66 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.303 -0.629 . . . . 6.94 109.303 -179.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.743 ' H ' ' HG2' ' A' ' 27' ' ' MET . . . -73.59 10.27 6.96 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.353 -0.451 . . . . 3.16 113.76 -174.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -79.52 35.42 0.29 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.292 0.567 . . . . 4.65 110.903 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.708 ' HA ' ' HG3' ' A' ' 33' ' ' MET . 1.6 tmt_? -76.77 -26.05 54.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.797 -0.638 . . . . 5.5 110.52 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.11 -28.55 69.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.836 0.826 . . . . 2.39 109.705 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.902 HG22 ' HB2' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -96.89 4.35 51.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.489 -1.232 . . . . 0.76 112.807 177.699 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.708 ' HG3' ' HA ' ' A' ' 30' ' ' ARG . 12.6 mtp -54.25 -50.35 67.4 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 113.599 0.963 . . . . 0.91 113.599 -173.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -104.27 -0.82 27.86 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.878 -0.513 . . . . 0.86 110.635 -172.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.0 p -107.67 -17.51 14.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.153 -0.476 . . . . 0.25 111.345 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.902 ' HB2' HG22 ' A' ' 32' ' ' THR . 86.8 tttt -91.4 113.77 26.12 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.281 0.562 . . . . 1.28 110.761 -178.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.553 HD11 ' HA ' ' A' ' 89' ' ' ALA . 70.5 mt -101.24 134.48 41.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.4 -0.818 . . . . 0.21 110.138 178.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -98.02 125.08 42.81 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.104 -0.702 . . . . 0.3 109.104 174.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 t -106.34 125.84 62.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.714 -0.476 . . . . 0.25 109.714 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.69 150.19 17.79 Favored Glycine 0 N--CA 1.445 -0.719 0 CA-C-N 115.668 -0.696 . . . . 0.24 111.814 -174.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.596 ' HA2' ' O4 ' ' B' ' 3' ' ' ' DT' . . . 88.62 11.8 65.52 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.401 -0.904 . . . . 0.24 112.522 178.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.3 mt -73.24 138.03 78.59 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-O 120.98 0.419 . . . . 0.2 111.909 -175.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 36.9 Cg_endo -69.24 147.75 66.92 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.102 1.868 . . . . 0.28 110.271 172.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -64.48 -16.67 62.88 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.814 0.302 . . . . 0.54 111.814 -174.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -77.75 -21.21 52.12 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.884 0.327 . . . . 2.37 111.884 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.3 m -56.06 134.0 52.29 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 120.836 0.351 . . . . 0.35 111.535 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.7 p -111.31 163.67 13.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.26 110.184 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.57 -35.86 61.26 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.923 -0.581 . . . . 0.55 110.526 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -67.3 -37.57 83.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.713 -0.676 . . . . 2.24 110.623 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.9 m -63.71 -41.57 98.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 0.39 111.06 -178.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.6 mt -70.49 -42.98 70.65 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.381 -0.6 . . . . 0.26 109.381 179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -56.19 -56.01 26.15 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 115.227 -0.897 . . . . 0.7 110.204 176.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.671 ' HA ' ' OE2' ' A' ' 56' ' ' GLU . 2.0 pt-20 -61.37 -37.32 82.95 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.617 0.599 . . . . 2.68 112.617 -176.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -70.9 -53.92 13.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.069 0.461 . . . . 0.85 110.91 -177.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.454 ' HB2' HD11 ' A' ' 61' ' ' ILE . 68.8 m-85 -73.04 -27.91 62.03 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.021 0.748 . . . . 0.24 113.021 -177.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.671 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 11.8 pt-20 -64.51 -18.32 64.7 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 120.75 -0.38 . . . . 1.93 111.091 -175.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -66.96 -8.09 27.06 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.97 0.359 . . . . 2.06 111.97 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -92.11 -9.15 43.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.511 0.196 . . . . 0.3 111.164 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.22 -104.82 0.26 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.71 -0.757 . . . . 1.36 112.508 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.59 ' HB3' ' HE3' ' A' ' 84' ' ' LYS . 5.0 m-20 -130.08 139.42 50.95 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.819 0.342 . . . . 0.65 111.34 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.481 HG12 ' SD ' ' A' ' 83' ' ' MET . 43.4 mt -111.77 136.64 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.055 -0.52 . . . . 0.22 110.547 174.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -80.66 -43.99 19.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.281 0.563 . . . . 1.59 109.63 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -160.39 140.14 11.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 114.924 -1.034 . . . . 2.3 109.89 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.414 ' HB2' HG21 ' A' ' 61' ' ' ILE . . . -136.39 118.13 15.06 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.182 -0.303 . . . . 0.17 110.182 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.8 m -136.59 146.14 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.119 0.485 . . . . 0.32 111.904 -175.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.4 t -94.25 134.09 32.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 107.352 -1.351 . . . . 0.23 107.352 168.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.829 HG12 ' HA2' ' A' ' 79' ' ' GLY . 26.8 mm -85.29 126.26 40.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.57 0.7 . . . . 0.17 110.926 -168.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.518 HG22 ' HA ' ' A' ' 75' ' ' SER . 41.2 p -120.91 150.11 41.58 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-N 114.788 -1.096 . . . . 0.34 108.431 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -55.89 129.4 39.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.886 0.374 . . . . 0.64 111.403 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -58.93 -21.8 58.71 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.832 0.679 . . . . 5.24 112.832 -175.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -95.19 -54.93 3.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.796 0.332 . . . . 1.65 111.685 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.4 p -92.84 -18.6 22.65 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.175 0.435 . . . . 0.71 112.175 -173.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.407 ' C ' ' HB ' ' A' ' 68' ' ' THR . 25.1 mt-30 68.03 26.38 7.32 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.224 -0.898 . . . . 1.42 110.892 178.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -86.09 134.12 33.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.332 -0.849 . . . . 2.2 109.621 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.518 ' HA ' HG22 ' A' ' 68' ' ' THR . 6.6 m -58.85 127.92 34.62 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.143 0.277 . . . . 1.15 110.932 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -92.35 13.25 19.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.328 0.585 . . . . 2.16 111.28 -176.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.583 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 73.87 11.75 81.05 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.662 -0.78 . . . . 0.26 114.714 177.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -146.9 168.08 22.35 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 117.334 0.567 . . . . 0.46 109.631 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.829 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -156.83 -179.07 31.51 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.239 -0.982 . . . . 0.14 112.746 -176.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.619 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 60.3 m-85 -132.49 138.16 47.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.745 0.784 . . . . 0.31 111.703 -179.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.3 t -121.28 124.38 71.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 114.657 -1.156 . . . . 0.29 109.423 172.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.4 m -106.8 109.71 21.68 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 107.672 -1.233 . . . . 0.26 107.672 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.501 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.8 mmm -83.43 146.5 28.39 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.456 -0.572 . . . . 0.43 109.456 -176.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.59 ' HE3' ' HB3' ' A' ' 60' ' ' ASP . 36.8 ttmt -70.55 -18.38 62.92 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.23 -0.895 . . . . 1.46 109.867 -177.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.86 146.57 37.7 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.398 0.618 . . . . 1.02 111.182 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -64.03 -43.21 96.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.1 -0.954 . . . . 2.95 113.065 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -63.28 -40.24 96.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.993 0.425 . . . . 0.27 110.626 -177.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.3 m -62.47 -43.2 99.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.672 -0.695 . . . . 0.55 110.186 178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.553 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -63.65 -39.22 93.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.353 -0.84 . . . . 0.17 111.266 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -67.98 -39.49 83.3 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.042 -0.526 . . . . 2.08 110.74 -177.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 18.8 mmt180 -60.53 -39.19 86.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.949 0.404 . . . . 3.23 110.299 179.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.24 99.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.2 111.406 175.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 57.6 m -81.23 -14.84 57.07 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.179 0.437 . . . . 0.32 112.179 -175.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -65.87 -35.28 80.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.7 0.286 . . . . 2.9 110.557 -175.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -107.92 96.45 17.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.601 -0.888 . . . . 1.12 108.601 172.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.477 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 57.4 Cg_endo -69.92 -4.08 13.42 Favored 'Trans proline' 0 N--CA 1.467 -0.071 0 C-N-CA 123.086 2.524 . . . . 0.48 114.823 -168.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 13.4 m120 -126.64 62.53 49.8 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.671 0.619 . . . . 0.67 112.671 -175.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -75.46 142.35 26.41 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.103 1.869 . . . . 0.48 112.016 175.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 49.8 mm -84.76 111.05 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.445 -0.343 . . . . 0.43 110.109 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.6 mt -122.79 121.57 63.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.058 -0.519 . . . . 0.44 110.1 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.9 t70 60.62 32.67 20.39 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.835 0.826 . . . . 1.33 109.825 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.08 4.21 88.69 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 115.414 -0.812 . . . . 0.51 112.913 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.477 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 20.3 tpt180 -116.51 138.69 51.19 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.604 0.24 . . . . 1.97 110.954 -178.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -83.24 120.09 25.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.166 0.508 . . . . 1.87 110.074 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.46 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -107.18 161.2 14.98 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.174 -0.921 . . . . 0.21 111.456 -175.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 59.4 m-20 -107.17 115.46 30.21 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.269 -1.011 . . . . 1.53 108.269 175.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.8 t -113.7 126.18 71.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.003 0.43 . . . . 0.38 112.009 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -154.57 155.23 34.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.529 -0.759 . . . . 0.61 109.818 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.8 mt -55.31 130.47 42.51 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 110.06 -0.348 . . . . 0.23 110.06 174.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.07 -33.7 73.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.677 0.621 . . . . 0.22 112.677 -169.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -70.38 -16.4 62.96 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.849 -0.34 . . . . 0.44 110.976 -175.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.89 -17.25 63.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.182 -0.463 . . . . 0.44 111.94 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -139.86 14.79 3.1 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 111.104 -0.798 . . . . 0.38 111.104 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.91 134.23 50.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.363 -0.419 . . . . 0.58 110.521 -176.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -81.57 128.76 68.39 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.695 -0.684 . . . . 2.02 111.154 -175.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.65 20.69 0.94 Allowed 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.997 2.464 . . . . 2.19 111.878 175.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.22 119.71 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.582 -0.735 . . . . 6.53 109.456 178.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.7 t -151.6 -167.26 2.74 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.998 -0.741 . . . . 4.39 108.998 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -58.95 -71.41 0.12 Allowed 'General case' 0 C--N 1.331 -0.239 0 O-C-N 123.281 0.363 . . . . 6.0 111.154 -178.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.46 HG12 ' HG2' ' A' ' 121' ' ' GLN . 64.0 t 68.52 -63.66 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 122.982 0.513 . . . . 5.72 111.15 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.46 ' HG2' HG12 ' A' ' 120' ' ' VAL . 81.6 mm-40 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.449 -0.786 . . . . 7.98 109.633 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.636 0 O5'-C5'-C4' 111.669 1.049 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.583 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-N19 109.261 1.826 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.596 ' O4 ' ' HA2' ' A' ' 41' ' ' GLY . . . . . . . . 0 O5'--C5' 1.43 -0.625 0 O4'-C1'-N19 106.717 -1.354 . . . . 2.05 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.592 " H1'" ' O2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 C4'-C3'-C2' 105.462 2.262 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.619 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C1'-N19 109.194 1.743 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . 0.59 ' N7 ' ' HE3' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.432 -0.524 0 O5'-C5'-C4' 111.567 0.977 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-C2' 107.475 1.25 . . . . 5.33 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.851 0 N-CA-C 112.595 -0.202 . . . . 7.06 112.595 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -163.45 104.31 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.202 -0.295 . . . . 4.34 110.202 -179.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 79.1 mtp -88.86 -61.88 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.073 0.464 . . . . 6.94 111.483 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.77 -179.91 19.79 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 110.104 -1.198 . . . . 3.16 110.104 -169.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.1 p 42.94 48.78 5.14 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.272 0.629 . . . . 4.65 111.616 -178.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.483 ' HD3' ' HA ' ' A' ' 30' ' ' ARG . 19.8 mmt180 -107.81 166.78 10.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.605 -0.725 . . . . 5.5 110.79 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -59.53 -27.7 66.42 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.6 -0.727 . . . . 2.39 110.969 -174.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.602 ' HB ' ' HB2' ' A' ' 36' ' ' LYS . 37.1 p -102.04 -2.32 29.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.633 -0.712 . . . . 0.76 112.477 -177.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 27.4 ttt -52.98 -52.86 56.84 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.79 0.663 . . . . 0.91 112.79 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.515 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 99.0 m-85 -102.74 -0.18 31.98 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.7 -0.4 . . . . 0.86 111.412 -176.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.487 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 40.8 p -109.85 -21.67 12.25 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.104 0.409 . . . . 0.25 112.104 -174.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.602 ' HB2' ' HB ' ' A' ' 32' ' ' THR . 86.4 tttt -85.27 113.69 21.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.162 0.506 . . . . 1.28 110.523 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.487 HD11 ' HA ' ' A' ' 89' ' ' ALA . 67.4 mt -103.36 134.75 43.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.473 -0.785 . . . . 0.21 110.654 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -99.41 126.29 45.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.57 -0.53 . . . . 0.3 109.57 174.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.501 HG13 HG22 ' A' ' 107' ' ' VAL . 5.0 t -109.41 130.32 62.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.253 -0.431 . . . . 0.25 109.985 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.41 159.35 21.39 Favored Glycine 0 C--O 1.226 -0.406 0 CA-C-N 116.047 -0.524 . . . . 0.24 112.131 -174.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.2 11.39 84.95 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 120.964 -0.636 . . . . 0.24 112.761 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.1 mt -68.29 135.56 91.19 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 120.69 0.281 . . . . 0.2 111.158 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.54 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 20.5 Cg_endo -63.1 148.19 93.53 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 121.768 1.646 . . . . 0.28 110.312 174.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -65.66 -26.23 67.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.785 0.326 . . . . 0.54 111.184 -171.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.54 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 9.6 p80 -78.69 -12.48 60.02 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.867 0.692 . . . . 2.37 112.867 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.496 ' OG1' ' HG2' ' A' ' 43' ' ' PRO . 95.0 m -56.33 139.23 49.09 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.074 0.397 . . . . 0.35 111.864 175.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.2 p -111.75 163.0 14.64 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 116.332 -0.394 . . . . 0.26 111.132 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.51 -36.22 61.5 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.556 -0.747 . . . . 0.55 110.712 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -67.34 -35.74 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.871 -0.604 . . . . 2.24 110.876 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.548 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 8.3 m -65.81 -39.09 90.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 0.39 110.989 178.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.8 mt -70.57 -41.32 72.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.411 0.624 . . . . 0.26 109.401 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -54.9 -55.42 30.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.379 -1.282 . . . . 0.7 110.119 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 50' ' ' THR . 8.9 pt-20 -59.57 -42.53 92.7 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.683 0.623 . . . . 2.68 112.683 -175.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.462 ' OH ' ' HB3' ' A' ' 98' ' ' PRO . 64.1 t80 -70.19 -53.17 18.28 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.68 -0.408 . . . . 0.85 111.562 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.454 ' HB2' HD11 ' A' ' 61' ' ' ILE . 75.6 m-85 -72.38 -28.08 62.78 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 113.48 0.919 . . . . 0.24 113.48 -175.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' OE2' ' HA ' ' A' ' 53' ' ' GLU . 12.3 pt-20 -67.33 -17.92 64.95 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.461 -0.496 . . . . 1.93 110.824 -175.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -67.02 -9.33 37.89 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.345 -0.389 . . . . 2.06 111.741 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -91.69 -11.6 36.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.809 0.337 . . . . 0.3 110.982 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 157.62 -105.53 0.27 Allowed Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.481 -0.866 . . . . 1.36 112.838 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -126.49 132.16 51.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.618 0.246 . . . . 0.65 111.204 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.454 HD11 ' HB2' ' A' ' 55' ' ' PHE . 34.7 mt -103.18 139.5 23.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.993 0.425 . . . . 0.22 110.936 172.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -81.63 -47.37 13.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.497 -0.774 . . . . 1.59 109.989 172.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -157.15 140.73 15.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.487 -0.779 . . . . 2.3 110.401 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.98 116.21 13.49 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.848 -0.427 . . . . 0.17 109.848 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.83 149.69 26.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.945 0.403 . . . . 0.32 111.897 -174.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -98.79 134.31 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.881 -1.155 . . . . 0.23 107.881 169.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.963 HG12 ' HA2' ' A' ' 79' ' ' GLY . 22.4 mm -84.34 126.52 40.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.548 0.689 . . . . 0.17 111.385 -167.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.533 HG22 ' HA ' ' A' ' 75' ' ' SER . 39.0 p -125.18 146.29 49.57 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.37 -1.286 . . . . 0.34 108.188 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 73' ' ' GLN . 15.6 t70 -57.59 136.43 56.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.668 0.271 . . . . 0.64 111.092 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -57.69 -30.61 65.61 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.819 0.674 . . . . 5.24 112.819 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -94.49 -54.53 3.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.215 0.45 . . . . 1.65 112.215 -173.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 p -91.39 -19.03 23.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.097 0.475 . . . . 0.71 111.707 -175.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 48.8 mt-30 68.03 26.79 7.22 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.077 -0.965 . . . . 1.42 111.177 173.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -87.15 131.65 34.1 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.459 -0.571 . . . . 2.2 109.459 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.533 ' HA ' HG22 ' A' ' 68' ' ' THR . 13.7 m -58.8 128.83 39.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.895 0.378 . . . . 1.15 110.786 176.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -98.25 13.44 31.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.035 -0.53 . . . . 2.16 111.414 -173.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.521 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 74.08 16.87 79.45 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.73 -0.748 . . . . 0.26 114.312 178.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.443 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 37.5 p90 -153.3 167.65 28.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.635 0.718 . . . . 0.46 110.39 175.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.963 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -158.24 -173.95 27.32 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.512 -0.851 . . . . 0.14 112.864 -175.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.55 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 49.8 m-85 -133.97 145.45 49.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.662 0.744 . . . . 0.31 112.172 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.1 t -130.99 127.51 61.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 114.459 -1.246 . . . . 0.29 109.756 171.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.5 m -104.9 110.44 22.82 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.211 -1.033 . . . . 0.26 108.211 175.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.567 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.6 mmm -84.49 149.48 25.91 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.247 0.546 . . . . 0.43 110.658 -178.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -75.26 -18.04 60.17 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.194 -0.912 . . . . 1.46 111.181 -177.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -144.51 149.39 35.84 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.271 -0.422 . . . . 1.02 110.483 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.515 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 47.1 ttt180 -63.11 -42.27 99.53 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.031 -0.532 . . . . 2.95 111.633 -177.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.635 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -61.61 -44.38 97.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.307 . . . . 0.27 110.713 -173.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.5 m -63.5 -42.39 98.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.174 -0.466 . . . . 0.55 110.152 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.567 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.76 -44.84 95.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.416 0.627 . . . . 0.17 111.156 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -70.4 -35.15 73.28 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.538 -0.756 . . . . 2.08 111.392 -175.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.635 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 17.5 mmt180 -60.76 -39.88 90.42 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.415 -0.587 . . . . 3.23 109.415 175.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.73 78.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.538 -0.755 . . . . 0.2 111.028 175.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.0 m -81.34 -10.83 59.48 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 111.588 0.218 . . . . 0.32 111.588 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.484 ' O ' ' HD2' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -65.61 -39.66 91.77 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 109.33 -0.619 . . . . 2.9 109.33 177.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -101.1 93.81 3.38 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.081 -0.711 . . . . 1.12 109.081 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.511 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 60.4 Cg_endo -69.99 -12.15 31.89 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.762 2.308 . . . . 0.48 113.759 -170.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.673 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 11.2 m120 -130.01 68.25 80.64 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 112.285 0.476 . . . . 0.67 112.285 -176.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.462 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 9.7 Cg_exo -73.73 139.39 27.81 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.967 2.445 . . . . 0.48 112.035 174.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.4 mm -84.71 111.18 20.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.008 0.432 . . . . 0.43 110.272 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.5 mt -121.96 121.66 64.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.788 -0.642 . . . . 0.44 110.045 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.435 ' OD2' HG21 ' A' ' 50' ' ' THR . 32.1 m-20 59.45 33.15 22.19 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.531 -0.759 . . . . 1.33 110.481 -177.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 73.3 15.2 78.92 Favored Glycine 0 CA--C 1.523 0.553 0 CA-C-N 115.704 -0.68 . . . . 0.51 113.441 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.435 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 24.4 tpt180 -120.03 143.82 47.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.385 -0.48 . . . . 1.97 110.486 178.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -78.22 120.44 23.01 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.292 -0.413 . . . . 1.87 110.081 176.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.673 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.49 158.41 16.93 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.863 0.364 . . . . 0.21 110.763 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.511 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 5.6 m-20 -112.65 115.73 29.04 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.131 -0.692 . . . . 1.53 109.131 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.501 HG22 HG13 ' A' ' 39' ' ' VAL . 59.5 t -115.37 132.65 64.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 112.291 0.478 . . . . 0.38 112.291 -176.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -151.79 152.84 33.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.382 -0.827 . . . . 0.61 109.846 173.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.402 HD23 HG12 ' A' ' 37' ' ' ILE . 86.0 mt -55.57 131.03 45.25 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.089 -0.708 . . . . 0.23 109.089 172.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.36 -36.22 70.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.046 0.758 . . . . 0.22 113.046 -168.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -71.89 -13.15 61.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.901 0.382 . . . . 0.44 111.504 -175.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.6 -12.54 60.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.558 -0.292 . . . . 0.44 111.198 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.69 13.8 1.55 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 0.38 112.026 -178.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.73 126.15 30.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.982 0.42 . . . . 0.58 110.227 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -83.02 148.82 57.71 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.84 -0.618 . . . . 2.02 111.121 -176.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.69 161.37 36.83 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 123.472 2.781 . . . . 2.19 112.931 -172.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.446 ' HA ' ' HD2' ' A' ' 117' ' ' ARG . 19.4 tpt180 62.9 36.79 12.55 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 122.301 1.048 . . . . 6.53 109.835 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.2 t -76.92 -2.02 31.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.088 -0.96 . . . . 4.39 110.341 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -70.07 99.06 1.4 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.747 -0.66 . . . . 6.0 109.832 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.521 ' H ' ' N4 ' ' B' ' 7' ' ' ' DC' . 59.5 t -98.01 -53.46 7.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.476 -0.329 . . . . 5.72 111.343 -176.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.228 -0.892 . . . . 7.98 111.085 -177.772 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 O5'-C5'-C4' 111.84 1.172 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.521 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 P-O3'-C3' 120.625 0.771 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 O4'-C1'-N19 109.108 1.635 . . . . 2.05 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C1'-O4'-C4' 106.315 -2.418 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.55 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.43 -0.623 0 C3'-C2'-C1' 100.414 -1.633 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . 0.59 ' N7 ' ' HE3' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C4'-C3' 106.267 0.667 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.521 ' N4 ' ' H ' ' A' ' 120' ' ' VAL . . . . . . . . 0 O4'--C1' 1.411 -0.654 0 C1'-O4'-C4' 105.772 -2.806 . . . . 5.33 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.749 ' N ' ' HG1' ' A' ' 32' ' ' THR . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 111.178 -0.769 . . . . 7.06 111.178 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.28 136.53 36.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.364 -0.606 . . . . 4.34 109.364 174.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 20.1 mmt 69.54 92.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 O-C-N 124.0 0.812 . . . . 6.94 111.976 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.56 -88.82 1.46 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.874 -0.679 . . . . 3.16 113.98 170.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -55.88 115.3 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.382 0.512 . . . . 4.65 112.382 -170.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.581 ' HA ' ' HG3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -98.31 -13.77 20.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.453 -0.34 . . . . 5.5 111.77 -179.597 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.41 -27.31 68.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.082 0.467 . . . . 2.39 110.604 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.749 ' HG1' ' N ' ' A' ' 25' ' ' GLY . 0.8 OUTLIER -100.57 0.66 39.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.686 -0.688 . . . . 0.76 112.512 -179.066 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.581 ' HG3' ' HA ' ' A' ' 30' ' ' ARG . 61.7 mtp -54.07 -53.26 55.62 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.982 0.734 . . . . 0.91 112.982 -177.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.606 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 77.5 m-85 -105.91 -0.96 24.67 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.555 -0.458 . . . . 0.86 111.398 -176.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.604 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 41.5 p -101.52 -22.53 14.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.742 0.275 . . . . 0.25 111.742 -176.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HE3' ' CE2' ' A' ' 80' ' ' PHE . 35.6 tttp -86.65 112.56 21.73 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.012 0.434 . . . . 1.28 109.9 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.637 HD11 ' HA ' ' A' ' 89' ' ' ALA . 62.7 mt -100.01 130.89 48.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 116.054 -0.521 . . . . 0.21 110.471 178.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -104.82 128.94 53.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.564 -0.532 . . . . 0.3 109.564 174.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.626 HG13 HG22 ' A' ' 107' ' ' VAL . 3.6 t -113.01 132.5 61.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.848 -0.426 . . . . 0.25 109.848 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.85 151.43 18.21 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.982 -0.554 . . . . 0.24 111.798 -175.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.79 14.31 79.89 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.639 -0.791 . . . . 0.24 112.545 177.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.7 mt -66.54 130.0 94.12 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 120.626 0.25 . . . . 0.2 110.893 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 103' ' ' ARG . 18.8 Cg_endo -58.58 148.13 83.28 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.121 1.88 . . . . 0.28 110.378 173.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -64.56 -13.69 54.12 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.941 -0.303 . . . . 0.54 111.628 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.545 ' HB2' ' OD1' ' A' ' 101' ' ' ASP . 18.7 m-70 -75.95 -22.33 56.07 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 121.026 -0.27 . . . . 2.37 111.382 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 m -55.06 127.87 31.07 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.97 0.414 . . . . 0.35 111.776 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.1 p -111.35 161.14 16.38 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.712 -0.676 . . . . 0.26 109.46 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.409 ' OD1' ' HA ' ' A' ' 65' ' ' VAL . 2.4 m-20 -53.99 -34.34 59.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.039 -0.528 . . . . 0.55 110.779 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -60.19 -46.8 88.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.336 -0.847 . . . . 2.24 111.135 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.7 m -64.78 -38.15 90.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.411 -0.359 . . . . 0.39 111.334 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.2 mt -69.12 -45.46 70.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.365 -0.606 . . . . 0.26 109.365 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 22.3 t-80 -55.61 -55.03 36.86 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.146 -0.934 . . . . 0.7 110.622 176.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.668 ' HG3' ' N ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -62.02 -37.95 86.81 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.206 0.447 . . . . 2.68 112.206 -175.822 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.668 ' N ' ' HG3' ' A' ' 53' ' ' GLU . 15.4 t80 -70.53 -53.65 15.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.359 -0.382 . . . . 0.85 111.404 -174.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.526 ' HB2' HD11 ' A' ' 61' ' ' ILE . 84.5 m-85 -72.92 -27.67 62.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.643 0.609 . . . . 0.24 112.643 -178.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.484 ' HG2' HD12 ' A' ' 61' ' ' ILE . 1.5 mm-40 -62.79 -17.74 61.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.937 0.399 . . . . 1.93 110.926 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -67.84 -17.41 64.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.379 -0.373 . . . . 2.06 111.07 174.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -92.38 -24.37 18.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 0.3 110.601 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.25 -172.65 38.41 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.947 -0.644 . . . . 1.36 112.189 -177.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.93 130.08 41.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.043 0.449 . . . . 0.65 111.401 -176.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.549 HG12 ' SD ' ' A' ' 83' ' ' MET . 18.5 mt -99.3 139.58 20.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.692 -0.685 . . . . 0.22 112.195 176.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 82' ' ' THR . 40.8 mm-40 -77.69 -51.25 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.774 -1.103 . . . . 1.59 109.717 173.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -159.68 139.86 11.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.595 -1.184 . . . . 2.3 109.529 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.39 115.58 12.5 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.768 -0.456 . . . . 0.17 109.768 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.409 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 30.6 m -137.56 150.11 25.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.136 0.493 . . . . 0.32 111.784 -176.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.0 t -94.95 134.42 32.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.113 -1.069 . . . . 0.23 108.113 169.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.791 HG12 ' HA2' ' A' ' 79' ' ' GLY . 28.6 mm -85.58 125.24 40.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 121.5 0.667 . . . . 0.17 110.856 -170.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.714 HG22 ' HA ' ' A' ' 75' ' ' SER . 76.7 p -123.7 149.54 45.38 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.66 -1.155 . . . . 0.34 108.566 177.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -57.58 127.04 30.04 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.529 -0.545 . . . . 0.64 109.529 172.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.574 ' HD3' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -59.63 -20.77 58.24 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.047 0.758 . . . . 5.24 113.047 -174.445 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.49 ' OD1' ' HG2' ' A' ' 70' ' ' ARG . 4.5 m-20 -90.57 -53.09 4.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.789 0.292 . . . . 1.65 111.789 -175.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.9 p -91.37 -20.36 21.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.101 0.477 . . . . 0.71 111.195 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 64.02 32.86 12.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.944 -1.025 . . . . 1.42 110.964 174.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -97.94 138.36 35.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.073 -0.967 . . . . 2.2 109.437 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.714 ' HA ' HG22 ' A' ' 68' ' ' THR . 9.0 m -59.39 131.24 50.37 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.155 0.284 . . . . 1.15 110.779 -177.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.425 ' HB2' ' CE2' ' A' ' 78' ' ' TYR . 27.8 mtp180 -96.56 15.11 22.52 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.308 0.575 . . . . 2.16 110.739 -175.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.596 ' HA3' ' N2 ' ' B' ' 2' ' ' ' DG' . . . 74.29 13.88 81.12 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-N 115.435 -0.802 . . . . 0.26 114.688 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' A' ' 76' ' ' ARG . 54.3 p90 -150.57 167.89 25.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.654 0.727 . . . . 0.46 109.997 177.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.791 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -159.12 -177.55 32.3 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 119.995 -1.098 . . . . 0.14 112.989 -175.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.632 ' HZ ' " H1'" ' B' ' 5' ' ' ' DT' . 55.5 m-85 -133.24 139.31 46.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.727 0.775 . . . . 0.31 112.126 -177.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 t -125.92 127.2 70.98 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 114.396 -1.275 . . . . 0.29 108.765 168.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.43 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 19.5 m -106.05 113.25 26.67 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 107.861 -1.162 . . . . 0.26 107.861 174.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.583 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 94.6 mmm -85.41 145.89 27.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.201 0.524 . . . . 0.43 110.368 -178.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -69.43 -18.78 63.77 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.22 -0.9 . . . . 1.46 111.236 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -144.74 150.7 37.71 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.951 0.405 . . . . 1.02 111.342 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.606 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 24.9 ttm180 -59.86 -43.22 94.78 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.359 -0.837 . . . . 2.95 112.459 -176.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 91' ' ' ARG . . . -64.71 -43.8 92.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.465 -0.334 . . . . 0.27 110.886 -173.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.4 m -62.43 -43.39 98.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.335 0.588 . . . . 0.55 109.811 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.637 ' HA ' HD11 ' A' ' 37' ' ' ILE . . . -63.94 -44.82 91.69 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.244 -0.889 . . . . 0.17 111.221 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -69.59 -37.06 76.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.222 -0.444 . . . . 2.08 111.525 -176.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 87' ' ' ALA . 4.9 mtp180 -60.57 -40.45 91.72 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 120.573 -0.451 . . . . 3.23 109.901 177.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.42 -35.74 80.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.579 -0.737 . . . . 0.2 111.406 175.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.1 m -81.89 -9.34 59.62 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 112.348 0.499 . . . . 0.32 112.348 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -63.93 -38.3 90.58 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 121.297 -0.161 . . . . 2.9 111.395 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -111.34 102.67 53.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.269 -0.641 . . . . 1.12 109.269 176.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.556 ' C ' ' HD3' ' A' ' 98' ' ' PRO . 59.9 Cg_endo -71.06 -2.75 11.58 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.985 2.457 . . . . 0.48 114.588 -174.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.548 HD22 ' C ' ' A' ' 96' ' ' PRO . 1.0 OUTLIER -121.98 55.49 6.13 Favored Pre-proline 0 N--CA 1.472 0.658 0 N-CA-C 112.933 0.716 . . . . 0.67 112.933 -176.181 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.556 ' HD3' ' C ' ' A' ' 96' ' ' PRO . 4.8 Cg_exo -73.9 138.06 25.36 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.288 1.992 . . . . 0.48 111.907 177.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 49.1 mm -83.75 116.62 28.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.171 -0.468 . . . . 0.43 110.562 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.3 mt -126.03 124.46 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 0.44 110.48 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.545 ' OD1' ' HB2' ' A' ' 45' ' ' HIS . 33.9 t70 59.19 34.51 23.2 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.859 0.838 . . . . 1.33 110.079 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.71 12.43 82.76 Favored Glycine 0 CA--C 1.522 0.524 0 CA-C-N 115.44 -0.8 . . . . 0.51 113.798 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.419 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 70.8 ttt180 -130.4 140.65 50.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.298 0.549 . . . . 1.97 110.386 -179.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -73.64 123.52 24.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.389 -0.369 . . . . 1.87 110.699 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.33 159.47 16.35 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.596 -0.729 . . . . 0.21 110.475 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.536 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 91.7 m-20 -111.13 115.51 29.53 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.167 -0.679 . . . . 1.53 109.167 178.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.626 HG22 HG13 ' A' ' 39' ' ' VAL . 97.7 t -119.11 133.43 65.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.397 0.518 . . . . 0.38 112.397 -175.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.466 HD22 ' C ' ' A' ' 108' ' ' ASN . 0.3 OUTLIER -159.37 160.0 34.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.345 -0.843 . . . . 0.61 109.319 174.244 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.4 mt -55.67 127.88 32.06 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.926 -0.398 . . . . 0.23 109.926 174.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.91 -31.97 70.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.862 0.69 . . . . 0.22 112.862 -169.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -70.82 -15.92 62.69 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 121.074 -0.251 . . . . 0.44 111.329 -176.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.5 mt -76.76 -8.51 57.44 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.482 0.549 . . . . 0.44 112.482 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.98 13.64 1.7 Allowed Glycine 0 C--N 1.323 -0.14 0 C-N-CA 120.728 -0.749 . . . . 0.38 112.037 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.74 145.94 38.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.839 0.352 . . . . 0.58 111.14 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -65.95 126.41 91.78 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.654 -0.703 . . . . 2.02 111.053 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -79.91 29.38 0.5 Allowed 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.197 2.598 . . . . 2.19 112.255 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 117' ' ' ARG . 27.8 tpt180 -154.33 102.99 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.554 -0.748 . . . . 6.53 110.164 -178.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.9 t -157.54 171.43 20.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.85 -0.614 . . . . 4.39 109.645 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -139.48 -54.77 0.57 Allowed 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 109.842 -0.429 . . . . 6.0 109.842 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.505 HG13 " H4'" ' B' ' 7' ' ' ' DC' . 13.9 t 65.22 38.81 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 115.575 -0.739 . . . . 5.72 111.143 174.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.247 -0.882 . . . . 7.98 109.503 173.624 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O5'-C5'-C4' 111.084 0.631 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.596 ' N2 ' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 C3'-C2'-C1' 100.344 -1.683 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.419 H2'' ' OP1' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 C3'-C2'-C1' 100.31 -1.707 . . . . 2.05 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.419 ' OP1' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C4'-C3'-C2' 105.229 2.029 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.632 " H1'" ' HZ ' ' A' ' 80' ' ' PHE . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 C3'-C2'-C1' 101.173 -1.091 . . . . 1.38 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . 0.429 " O4'" HD12 ' A' ' 67' ' ' ILE . . . . . . . . 0 O5'--C5' 1.43 -0.615 0 O5'-C5'-C4' 111.264 0.76 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.505 " H4'" HG13 ' A' ' 120' ' ' VAL . . . . . . . . 0 O5'--C5' 1.429 -0.688 0 P-O3'-C3' 120.698 0.831 . . . . 5.33 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.856 0 N-CA-C 112.19 -0.364 . . . . 7.06 112.19 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 67.09 -88.08 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.156 0.583 . . . . 4.34 111.35 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 80.5 mmm -102.65 76.82 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.676 -0.49 . . . . 6.94 109.676 -177.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.29 -141.59 26.09 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.823 -0.703 . . . . 3.16 111.431 -176.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 t 60.52 89.4 0.07 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.366 0.603 . . . . 4.65 111.666 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.784 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -115.37 -10.23 12.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.024 -0.534 . . . . 5.5 110.574 179.615 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -65.98 -26.45 67.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.55 -0.75 . . . . 2.39 111.076 -175.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.411 ' HA ' ' OG1' ' A' ' 35' ' ' THR . 7.4 p -107.2 -3.2 20.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.892 -0.594 . . . . 0.76 112.373 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.443 ' HG3' ' HA ' ' A' ' 30' ' ' ARG . 69.7 mtp -54.92 -52.3 63.38 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.36 0.874 . . . . 0.91 113.36 -174.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.587 ' HB3' ' HG3' ' A' ' 86' ' ' ARG . 81.1 m-85 -105.75 0.48 26.21 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.162 -0.615 . . . . 0.86 111.168 -176.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 32' ' ' THR . 26.0 p -106.33 -30.21 9.29 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.544 -0.298 . . . . 0.25 111.713 -175.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.476 ' HE3' ' O6 ' ' B' ' 6' ' ' ' DG' . 86.9 tttt -82.92 111.7 19.04 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 121.177 0.513 . . . . 1.28 109.743 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.409 HG12 HD23 ' A' ' 109' ' ' LEU . 63.8 mt -101.76 132.77 47.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.451 -0.795 . . . . 0.21 110.431 -177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -97.42 123.43 41.26 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.424 -0.584 . . . . 0.3 109.424 175.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.523 HG13 HG22 ' A' ' 107' ' ' VAL . 3.7 t -104.33 124.67 58.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.355 -0.609 . . . . 0.25 109.355 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.24 156.98 19.3 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.098 -0.572 . . . . 0.24 112.256 -173.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.15 9.85 86.65 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.916 -0.659 . . . . 0.24 112.534 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.19 135.02 93.55 Favored Pre-proline 0 C--N 1.327 -0.389 0 C-N-CA 122.301 0.24 . . . . 0.2 110.66 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.516 ' HD3' ' HG2' ' A' ' 103' ' ' ARG . 45.7 Cg_endo -68.9 152.35 73.6 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.028 1.818 . . . . 0.28 110.292 174.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -63.59 -14.76 54.64 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.988 0.366 . . . . 0.54 111.988 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.409 ' HB2' ' OD1' ' A' ' 101' ' ' ASP . 16.2 m-70 -76.27 -22.78 54.69 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.888 0.329 . . . . 2.37 111.888 178.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.7 m -58.21 134.81 56.84 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.296 0.48 . . . . 0.35 112.296 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.9 p -117.14 167.52 11.11 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.161 -0.472 . . . . 0.26 110.367 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -53.12 -39.62 63.6 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.895 -0.593 . . . . 0.55 111.419 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.584 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 37.9 ttpt -69.11 -33.77 74.0 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.35 -0.387 . . . . 2.24 110.119 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.0 m -62.04 -40.39 95.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.995 0.426 . . . . 0.39 110.191 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.5 mt -71.91 -40.99 68.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.26 110.29 176.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -55.34 -56.0 25.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.605 -0.725 . . . . 0.7 111.067 177.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 9.5 mm-40 -59.67 -43.65 93.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.632 0.604 . . . . 2.68 112.632 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.456 ' OH ' ' HB3' ' A' ' 98' ' ' PRO . 73.3 t80 -70.17 -52.59 22.24 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.914 -0.714 . . . . 0.85 111.911 -175.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.469 ' CB ' HD11 ' A' ' 61' ' ' ILE . 79.0 m-85 -71.81 -27.64 63.06 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.143 0.794 . . . . 0.24 113.143 -176.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -17.68 64.99 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.387 -0.525 . . . . 1.93 110.843 -175.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -67.58 -11.58 58.42 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.961 -0.563 . . . . 2.06 111.158 177.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' A' ' 92' ' ' ALA . 43.5 m-85 -92.38 -30.22 15.9 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 122.303 -0.248 . . . . 0.3 111.135 178.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 161.16 -168.64 36.51 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.41 -0.9 . . . . 1.36 112.568 -174.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -63.03 117.6 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.469 0.652 . . . . 0.65 112.334 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.514 HG12 ' SD ' ' A' ' 83' ' ' MET . 31.9 mt -96.66 133.44 38.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.435 -0.802 . . . . 0.22 111.054 168.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.451 ' OE1' ' HE2' ' A' ' 84' ' ' LYS . 1.9 mm-40 -80.3 -42.32 23.26 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.117 -0.947 . . . . 1.59 109.607 174.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -157.63 135.33 10.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.155 -0.93 . . . . 2.3 109.685 -173.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.91 113.71 10.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 117.832 0.287 . . . . 0.17 110.3 176.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 m -139.24 150.79 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.304 0.483 . . . . 0.32 112.304 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.6 t -96.74 133.92 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 107.788 -1.19 . . . . 0.23 107.788 169.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.83 HG12 ' HA2' ' A' ' 79' ' ' GLY . 26.0 mm -82.92 128.37 38.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-O 121.679 0.752 . . . . 0.17 110.942 -169.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.75 HG22 ' HA ' ' A' ' 75' ' ' SER . 32.5 p -129.48 147.04 51.25 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.425 -1.261 . . . . 0.34 107.835 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.97 132.03 48.21 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.854 -0.738 . . . . 0.64 109.744 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.663 ' HB3' ' OP1' ' B' ' 7' ' ' ' DC' . 0.0 OUTLIER -61.66 -15.99 44.72 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.429 0.9 . . . . 5.24 113.429 -172.332 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -86.06 -58.39 2.66 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.68 -0.408 . . . . 1.65 110.898 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.1 p -96.59 -20.68 18.16 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.28 0.474 . . . . 0.71 112.28 -174.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 68.34 23.49 7.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.468 -0.787 . . . . 1.42 110.891 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -77.82 150.91 34.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.043 -0.526 . . . . 2.2 109.787 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.75 ' HA ' HG22 ' A' ' 68' ' ' THR . 15.5 m -75.56 123.49 25.57 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.01 -0.367 . . . . 1.15 110.01 -171.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.565 ' HD2' HG22 ' A' ' 67' ' ' ILE . 54.1 mtt180 -82.02 5.74 18.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.046 0.451 . . . . 2.16 111.523 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.584 ' HA3' ' H22' ' B' ' 2' ' ' ' DG' . . . 73.58 10.89 80.13 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.827 -0.701 . . . . 0.26 114.124 178.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.491 ' CE2' ' HB3' ' A' ' 76' ' ' ARG . 40.7 p90 -149.6 165.04 33.47 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.268 -0.641 . . . . 0.46 109.268 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.83 ' HA2' HG12 ' A' ' 67' ' ' ILE . . . -154.38 -175.81 25.99 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 119.91 -1.138 . . . . 0.14 112.766 -176.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -132.74 138.26 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.6 0.714 . . . . 0.31 111.373 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.3 t -122.98 123.27 67.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 114.664 -1.153 . . . . 0.29 109.346 170.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -101.81 108.92 20.56 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.35 -0.981 . . . . 0.26 108.35 177.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.542 ' HG3' ' HA ' ' A' ' 89' ' ' ALA . 93.8 mmm -84.2 148.33 26.8 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.37 0.605 . . . . 0.43 110.579 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.451 ' HE2' ' OE1' ' A' ' 62' ' ' GLU . 19.7 ttmt -75.85 -17.94 59.62 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.768 -1.105 . . . . 1.46 110.625 -177.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -147.36 151.01 35.82 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.351 0.596 . . . . 1.02 110.984 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.587 ' HG3' ' HB3' ' A' ' 34' ' ' PHE . 4.7 ttm180 -60.7 -41.79 95.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.303 -0.862 . . . . 2.95 111.947 -176.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.705 ' O ' ' HG2' ' A' ' 91' ' ' ARG . . . -66.04 -45.74 80.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.365 -0.38 . . . . 0.27 111.171 -170.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.8 m -63.7 -39.11 93.49 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.61 -0.515 . . . . 0.55 109.61 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.542 ' HA ' ' HG3' ' A' ' 83' ' ' MET . . . -62.83 -44.72 95.38 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.953 -0.567 . . . . 0.17 111.002 177.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -71.37 -34.69 70.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.738 -0.664 . . . . 2.08 111.919 -175.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.705 ' HG2' ' O ' ' A' ' 87' ' ' ALA . 29.9 mmm180 -60.24 -39.94 88.47 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.118 -0.697 . . . . 3.23 109.118 175.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.522 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -61.38 -37.26 82.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.514 -0.767 . . . . 0.2 111.166 175.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 64.4 m -81.43 -12.57 58.88 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.064 0.394 . . . . 0.32 112.064 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -65.64 -34.62 78.65 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.193 0.52 . . . . 2.9 109.739 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -108.07 88.86 5.02 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 108.619 -0.882 . . . . 1.12 108.619 172.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.537 ' O ' ' HA ' ' A' ' 106' ' ' ASN . 54.5 Cg_endo -69.09 -3.83 12.35 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.0 2.467 . . . . 0.48 113.944 -174.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.657 ' HA ' ' O ' ' A' ' 105' ' ' ALA . 12.3 m120 -129.18 67.09 78.01 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 111.973 0.36 . . . . 0.67 111.973 -178.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.456 ' HB3' ' OH ' ' A' ' 54' ' ' TYR . 5.0 Cg_exo -74.69 142.11 28.48 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.789 2.326 . . . . 0.48 111.705 174.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.3 mm -83.32 110.44 18.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.43 -0.582 . . . . 0.43 109.43 172.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.4 mt -125.79 120.59 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.064 -0.517 . . . . 0.44 110.167 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 45' ' ' HIS . 26.4 t70 60.5 34.86 20.34 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.984 0.897 . . . . 1.33 110.246 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.21 3.51 88.47 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.025 -0.989 . . . . 0.51 112.87 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.516 ' HG2' ' HD3' ' A' ' 43' ' ' PRO . 15.7 tpt180 -115.37 137.02 52.48 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 122.723 -0.281 . . . . 1.97 110.673 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -74.84 120.16 20.01 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.438 -0.949 . . . . 1.87 108.438 171.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.657 ' O ' ' HA ' ' A' ' 97' ' ' ASN . . . -106.41 159.2 16.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.295 -0.411 . . . . 0.21 110.666 -175.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.537 ' HA ' ' O ' ' A' ' 96' ' ' PRO . 3.7 m-20 -115.07 115.3 26.57 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.201 -0.666 . . . . 1.53 109.201 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.523 HG22 HG13 ' A' ' 39' ' ' VAL . 94.5 t -117.76 134.23 62.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.898 0.38 . . . . 0.38 111.936 -175.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -155.9 155.97 33.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.809 -0.632 . . . . 0.61 110.05 175.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 34' ' ' PHE . 88.1 mt -55.81 130.64 44.3 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.712 -0.477 . . . . 0.23 109.712 174.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.11 -33.04 73.7 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.229 0.826 . . . . 0.22 113.229 -167.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -68.08 -16.51 64.05 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.786 -0.366 . . . . 0.44 111.298 -175.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.1 mt -71.16 -8.15 51.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.332 0.493 . . . . 0.44 112.332 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.74 12.62 0.99 Allowed Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.766 -0.73 . . . . 0.38 111.328 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.26 145.98 43.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.127 0.489 . . . . 0.58 112.004 -174.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -69.46 149.21 97.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.283 -0.872 . . . . 2.02 110.43 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.86 114.72 2.12 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.596 2.197 . . . . 2.19 111.31 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 77.29 82.28 0.08 Allowed 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.849 0.718 . . . . 6.53 110.689 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.4 t -81.42 119.85 24.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.821 -0.627 . . . . 4.39 109.613 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.422 ' HB3' " O3'" ' B' ' 7' ' ' ' DC' . 10.9 t30 -84.38 114.05 21.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.225 0.536 . . . . 6.0 111.425 -173.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 60.8 t -129.58 115.55 35.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.744 -0.835 . . . . 5.72 108.744 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.482 -0.771 . . . . 7.98 110.457 -176.528 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O5'-C5'-C4' 111.529 0.949 . . . . 4.71 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.584 ' H22' ' HA3' ' A' ' 77' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C3'-C2'-C1' 100.677 -1.445 . . . . 2.8 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.571 ' C6 ' ' OP1' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 P--O5' 1.597 0.431 0 O5'-C5'-C4' 112.519 1.656 . . . . 2.05 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.456 ' C6 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 C4'-C3'-C2' 105.03 1.83 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.658 0 C3'-C2'-C1' 101.154 -1.104 . . . . 1.38 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . 0.476 ' O6 ' ' HE3' ' A' ' 36' ' ' LYS . . . . . . . . 0 O5'--C5' 1.431 -0.591 0 C5'-C4'-C3' 115.564 0.576 . . . . 0.6 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.663 ' OP1' ' HB3' ' A' ' 70' ' ' ARG . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 O4'-C4'-C3' 106.148 0.548 . . . . 5.33 . . . . . . . . . . 1 1 . 1 stop_ save_